|
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white powder (est) |
| Assay: | 98.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Melting Point: | 345.00 to 350.00 °C. @ 760.00 mm Hg
|
| Flash Point: | 32.00 °F. TCC ( 0.00 °C. ) (est)
|
| logP (o/w): | -0.780 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: |
| | alcohol | | | water, 1.248e+004 mg/L @ 25 °C (est) | | | water, 330 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Flavor Type: bitter |
| bitter |
| Taste Description: bitter |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
|
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 1265 mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(3), Pg. 59, 1982.
oral-mouse LD50 837 mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(3), Pg. 59, 1982.
oral-human LDLo 26 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
intraperitoneal-mouse LD50 552 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmaceutica Vol. 46, Pg. 93, 1996.
oral-cat LD50 200 mg/kg
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1372, 1986.
oral-dog LD50 300 mg/kg
Toxicology and Applied Pharmacology. Vol. 53, Pg. 481, 1980.
oral-human TDLo 26 mg/kg
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 113, 1946.
|
| Dermal Toxicity: |
subcutaneous-rabbit LDLo 1000 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
subcutaneous-mouse LD50 530 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 601, 1956.
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for theobromine usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 30.00 (μg/capita/day) |
| Structure Class: | III |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 11 |
| Click here to view publication 11 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 1050.00000 |
| beverages(nonalcoholic): | - | - |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | 4020.00000 |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | 795.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | 990.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | 4020.00000 |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | 3300.00000 |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 20.00000 | 70.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - |
| Edible ices, including sherbet and sorbet (03.0): | - | - |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | - | - |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - |
| Bakery wares (07.0): | - | - |
| Meat and meat products, including poultry and game (08.0): | - | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 75.00000 | 100.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - |
| Ready-to-eat savouries (15.0): | - | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - |
Safety References:
References:
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C07480 |
| HMDB (The Human Metabolome Database): | HMDB02825 |
| FooDB: | FDB000455 |
| Export Tariff Code: | 2934.99.4400 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Formulations/Preparations:
•double salt or mixture of calcium theobromine and calcium salicylate. contains no less than 44% theobromine. white, amorphous powder. slightly saline taste. partly sol in water. aqueous solutions are alkaline to phenolphthalein. calcium salicyclate
•equimolar mixture of sodium theobromine and sodium acetate, containing 1 h2o. theobromine 59.6%, anhydrous sodium acetate 27.1%. white, odorless or almost odorless, hygroscopic powder. absorbs co2 from the air becoming incompletely soluble. very soluble in water, sparingly soluble in cold alcohol; the solutions are strongly alkaline. sodium acetate
•equimolar mixture of sodium theobromine and sodium salicylate, containing 1h2o. theobromine 47.3%, sodium salicylate 42.1%. white, odorless of almost odorless, hygroscopic powder. absorbs co2 from the air becoming incompletely soluble. soluble in 1 part water; slightly soluble in alcohol: the solutions are strongly alkaline. ph about 10. sodium salicylate
|
Potential Blenders and core components note
| For Odor |
| No odor group found for these |
gentiana lutea root extract
FL/FR |
prunus serotina bark extract
FL/FR |
| aldehydic |
| aldehydic |
citronellyl oxyacetaldehyde
FL/FR |
tridecanal
FL/FR |
| balsamic |
peru balsam oil
FL/FR |
peru balsam resinoid
FL/FR |
terpinyl isovalerate
FL/FR |
| caramellic |
fenugreek oleoresin
FL/FR |
immortelle absolute
FL/FR |
| chocolate |
cocoa hexenal
FL/FR |
cocoa oleoresin
FL/FR |
| citrus |
2- heptanol
FL/FR |
(+)- nootkatone
FL/FR |
bitter orange peel oil brazil
FL/FR |
| cocoa |
theobroma cacao extract
FL/FR |
| coffee |
coffea arabica seed extract
FL/FR |
roasted arabica coffee bean oil
FL/FR |
| fatty |
(E,Z,Z)-2,4,7- tridecatrienal
FL/FR |
| floral |
(Z)- jasmone
FL/FR |
nerol
FL/FR |
terpinyl valerate
FL/FR |
| hay |
tobacco leaf absolute
FL/FR |
| herbal |
black camellia sinensis leaf infusion
FL/FR |
levisticum officinale root extract
FL/FR |
| incense |
frankincense gum papyrifera
FL/FR |
| musk |
dextro,laevo- muscone
FL/FR |
| powdery |
dibenzyl ketone
FL/FR |
| tea |
camellia oleifera leaf extract
FL/FR |
| For Flavor |
| balsamic |
peru balsam oil
FL/FR |
peru balsam resinoid
FL/FR |
| bitter |
2- acetyl-5-methyl pyrrole
FL |
amarogentin
FL |
cocoa pyrazines base (mixture of pyrazines)
FL |
dibenzyl ketone
FL/FR |
3,4- dihydroxybenzaldehyde
FL |
frankincense gum papyrifera
FL/FR |
glyceryl tributyrate
FL |
methyl ethoxypyrazine
FL |
1,3- octane diol
FL |
paullinia cupana seed extract
FL |
terpin anhydrous
FL |
terpinyl isovalerate
FL/FR |
(E,Z,Z)-2,4,7- tridecatrienal
FL/FR |
| brown |
fenugreek oleoresin
FL/FR |
juglans nigra shell extract
FL |
| chocolate |
bittersweet chocolate flavor
FL |
bitter chocolate flavor
FL |
cocoa oleoresin
FL/FR |
| citrus |
citronellyl oxyacetaldehyde
FL/FR |
bitter lemon flavor
FL |
nerol
FL/FR |
(+)- nootkatone
FL/FR |
bitter orange flavor
FL |
| cocoa |
cocoa distillates
FL |
cocoa hexenal
FL/FR |
theobroma cacao extract
FL/FR |
| coffee |
coffea arabica seed extract
FL/FR |
| cooling |
(2S,5R)-N-[4-(2- amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
FL |
| fruity |
2- heptanol
FL/FR |
bitter orange peel oil brazil
FL/FR |
prunus serotina bark extract
FL/FR |
terpinyl valerate
FL/FR |
| grassy |
tobacco leaf absolute
FL/FR |
| green |
gentiana lutea root extract
FL/FR |
immortelle absolute
FL/FR |
| herbal |
black camellia sinensis leaf infusion
FL/FR |
| musk |
dextro,laevo- muscone
FL/FR |
| nutty |
peanut oxazole
FL |
| roasted |
acer spicatum bark extract
FL |
roasted arabica coffee bean oil
FL/FR |
| spicy |
levisticum officinale root extract
FL/FR |
| sulfurous |
2- methyl thiophene
FL |
| tea |
camellia oleifera leaf extract
FL/FR |
| waxy |
tridecanal
FL/FR |
| woody |
ginseng distillates
FL |
(Z)- jasmone
FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 3,7- | dihydro-3,7-dimethyl-1H-purine-2,6-dione | | 2,6- | dihydroxy-3,7-dimethyl purine | | 2,6- | dihydroxy-3,7-dimethyl-purine | | 2,6- | dihydroxy-3,7-dimethylpurine | | 3,7- | dimethyl xanthine | | 3,7- | dimethyl-1,3,7-trihydropurine-2,6-dione | | 3,7- | dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | | 3,7- | dimethyl-3,7-dihydro-1H-purine-2,6-dione | | 3,7- | dimethyl-xanthine | | 3,7- | dimethylpurine-2,6-dione | | 3,7- | dimethylxanthine | | | diuretin | | | diurobromine | | 1H- | purine-2, 3,7-dihydro-3,7-dimethyl- | | 1H- | purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- | | 1H- | purine-2,6-dione,3,7-dihydro-3,7- dimethyl- | | | teobromin | | | theobromin | | | theobromine natural | | | theosalvose | | | theostene | | | thesodate | | | xanthine, 3,7-dimethyl- |
Articles:
| US Patents:4,006,261 - Flavoring with mixtures of theobromine and cyclic dipeptides |
| PubMed:Theobromine enhances absorption of cacao polyphenol in rats. |
| PubMed:Differing chemical compositions of three teas may explain their different effects on acute blood pressure in spontaneously hypertensive rats. |
| PubMed:Quantitative analysis of major constituents in green tea with different plucking periods and their antioxidant activity. |
| PubMed:Alkaloids and athlete immune function: caffeine, theophylline, gingerol, ephedrine, and their congeners. |
| PubMed:Identification and determination of synthetic pharmaceuticals as adulterants in eight common herbal weight loss supplements. |
| PubMed:Interactions among chemical components of Cocoa tea (Camellia ptilophylla Chang), a naturally low caffeine-containing tea species. |
| PubMed:Cocoa phytochemicals: recent advances in molecular mechanisms on health. |
| PubMed:Diet of patients after pouch surgery may affect pouch inflammation. |
| PubMed:Health benefits of methylxanthines in cacao and chocolate. |
| PubMed:Simultaneous determination of caffeine, theophylline and theobromine in food samples by a kinetic spectrophotometric method. |
| PubMed:Simultaneous quantification of caffeine and its three primary metabolites in rat plasma by liquid chromatography-tandem mass spectrometry. |
| PubMed:Fuzhuanins A and B: the B-ring fission lactones of flavan-3-ols from Fuzhuan brick-tea. |
| PubMed:[About flavouring substances and flavouring preparations regulation in the field of manufacturing of flavourings and foodstuffs]. |
| PubMed:Concentration of biologically active compounds extracted from Ilex paraguariensis St. Hil. by nanofiltration. |
| PubMed:Cocoa and human health. |
| PubMed:Guarana powder polysaccharides: characterisation and evaluation of the antioxidant activity of a pectic fraction. |
| PubMed:Development and validation of a rapid ultra high pressure liquid chromatographic method for the determination of methylxanthines in herbal infusions. |
| PubMed:Involvement of a novel intronic microRNA in cross regulation of N-methyltransferase genes involved in caffeine biosynthesis in Coffea canephora. |
| PubMed:Diversity of cacao trees in Waslala, Nicaragua: associations between genotype spectra, product quality and yield potential. |
| PubMed:Dietary nutrients associated with short and long sleep duration. Data from a nationally representative sample. |
| PubMed:The protective effects of guaraná extract (Paullinia cupana) on fibroblast NIH-3T3 cells exposed to sodium nitroprusside. |
| PubMed:Profiles of phenolic compounds and purine alkaloids during the development of seeds of Theobroma cacao cv. Trinitario. |
| PubMed:Modification of ginseng flavors by bitter compounds found in chocolate and coffee. |
| PubMed:Influence of sugar type on the bioavailability of cocoa flavanols. |
| PubMed:Development of a chromatographic low pressure flow injection system: application to the analysis of methylxanthines in coffee. |
| PubMed:A general strategy for performing temperature-programming in high performance liquid chromatography--further improvements in the accuracy of retention time predictions of segmented temperature gradients. |
| PubMed:Alkaloids in the human food chain--natural occurrence and possible adverse effects. |
| PubMed:Comparison of the chemical constituents of aged pu-erh tea, ripened pu-erh tea, and other teas using HPLC-DAD-ESI-MSn. |
| PubMed:Erythema multiforme-like eruption from a slimming drug preparation cutaneous adverse drug reaction. |
| PubMed:Flavanols and methylxanthines in commercially available dark chocolate: a study of the correlation with nonfat cocoa solids. |
| PubMed:Rapid methods to determine procyanidins, anthocyanins, theobromine and caffeine in rat tissues by liquid chromatography-tandem mass spectrometry. |
| PubMed:Blood levels of vitamin D in teens and young adults with myopia. |
| PubMed:Caffeine, pentoxifylline and theophylline form stacking complexes with IQ-type heterocyclic aromatic amines. |
| PubMed:Theobromine and the pharmacology of cocoa. |
| PubMed:Natural compounds in the human diet and their ability to bind mutagens prevents DNA-mutagen intercalation. |
| PubMed:Energy drinks: a review of use and safety for athletes. |
| PubMed:Phenolic acids and methylxanthines composition and antioxidant properties of mate (Ilex paraguariensis) residue. |
| PubMed:Rapid determination of methylxanthines in real samples by high-performance liquid chromatography using the new FastGradient narrow-bore monolithic column. |
| PubMed:Methylxanthines and phenolics content extracted during the consumption of mate (Ilex paraguariensis St. Hil) beverages. |
| PubMed:Natural cocoa as diet-mediated antimalarial prophylaxis. |
| PubMed:Identification of a major polyphenol and polyphenolic composition in leaves of Camellia irrawadiensis. |
| PubMed:Rapid determination of phenolic compounds and alkaloids of carob flour by improved liquid chromatography tandem mass spectrometry. |
| PubMed:Cilostazol: new drug. Intermittent claudication: too little efficacy, too many risks. |
| PubMed:Antihypertensive effect of a polyphenol-rich cocoa powder industrially processed to preserve the original flavonoids of the cocoa beans. |
| PubMed:Validity and reproducibility of a self-administered semi-quantitative food-frequency questionnaire for estimating usual daily fat, fibre, alcohol, caffeine and theobromine intakes among Belgian post-menopausal women. |
| PubMed:Pharmacologic therapy for intermittent claudication. |
| PubMed:Safety assessment of kola nut extract as a food ingredient. |
| PubMed:Pentoxifylline: a drug with wide spectrum applications in dermatology. |
| PubMed:Anti-TNF treatment reduces rat skeletal muscle wasting in monocrotaline-induced cardiac cachexia. |
| PubMed:Quantitation of methylxanthinic alkaloids and phenolic compounds in mate (Ilex paraguariensis) and their effects on blood vessel formation in chick embryos. |
| PubMed:Protection of human HepG2 cells against oxidative stress by cocoa phenolic extract. |
| PubMed:Effects of chronic administration of caffeine and stress on feeding behavior of rats. |
| PubMed:Simultaneous HPLC determination of caffeine, theobromine, and theophylline in food, drinks, and herbal products. |
| PubMed:Determination of caffeine and associated compounds in food, beverages, natural products, pharmaceuticals, and cosmetics by micellar electrokinetic capillary chromatography. |
| PubMed:Short-term toxicity of aristolochic acid, aristolochic acid-I and aristolochic acid-II in rats. |
| PubMed:Predictive relationship between polyphenol and nonfat cocoa solids content of chocolate. |
| PubMed:Chemical and archaeological evidence for the earliest cacao beverages. |
| PubMed:Lipopolysaccharide and trovafloxacin coexposure in mice causes idiosyncrasy-like liver injury dependent on tumor necrosis factor-alpha. |
| PubMed:Influence of peptone source on sporulation of Clostridium perfringens type A. |
| PubMed:Selective liquid CO2 extraction of purine alkaloids in different Ilex paraguariensis progenies grown under environmental influences. |
| PubMed:Simultaneous analysis of catechins, gallic acid, strictinin, and purine alkaloids in green tea by using catechol as an internal standard. |
| PubMed:Microbial and dietary factors associated with the 8-prenylnaringenin producer phenotype: a dietary intervention trial with fifty healthy post-menopausal Caucasian women. |
| PubMed:Urinary excretion of dietary contaminants in horses. |
| PubMed:Development of a biosensor for caffeine. |
| PubMed:Infection and anorexia. |
| PubMed:Overview of antibacterial, antitoxin, antiviral, and antifungal activities of tea flavonoids and teas. |
| PubMed:Molecular definition of the taste of roasted cocoa nibs (Theobroma cacao) by means of quantitative studies and sensory experiments. |
| PubMed:Antimicrobial activities of tea catechins and theaflavins and tea extracts against Bacillus cereus. |
| PubMed:Pentoxifylline in ALS: a double-blind, randomized, multicenter, placebo-controlled trial. |
| PubMed:The pivotal role of cytokines in muscle wasting during cancer. |
| PubMed:Sensory-guided decomposition of roasted cocoa nibs (Theobroma cacao) and structure determination of taste-active polyphenols. |
| PubMed:Solid-phase ultraviolet sensing system for determination of methylxanthines. |
| PubMed:Evaluation of cocoa- and coffee-derived methylxanthines as toxicants for the control of pest coyotes. |
| PubMed:Reinforcing effects of caffeine and theobromine as found in chocolate. |
| PubMed:Classification of Ilex species based on metabolomic fingerprinting using nuclear magnetic resonance and multivariate data analysis. |
| PubMed:Uric acid or 1-methyl uric acid in the urinary bladder increases serum glucose, insulin, true triglyceride, and total cholesterol levels in Wistar rats. |
| PubMed:Plant biochemistry: a naturally decaffeinated arabica coffee. |
| PubMed:Dietary sources of nutrients among US adults, 1994 to 1996. |
| PubMed:Determination of caffeine, theobromine, and theophylline in standard reference material 2384, baking chocolate, using reversed-phase liquid chromatography. |
| PubMed:HPLC-MSn analysis of phenolic compounds and purine alkaloids in green and black tea. |
| PubMed:Influence of agronomic variables on the composition of mate tea leaves (Ilex paraguariensis) extracts obtained from CO2 extraction at 30 degrees C and 175 bar. |
| PubMed:Lisofylline, a novel anti-inflammatory agent, enhances glucose-stimulated insulin secretion in vivo and in vitro: studies in prediabetic and normal rats. |
| PubMed:Metabolite profiling using (1)H NMR spectroscopy for quality assessment of green tea, Camellia sinensis (L.). |
| PubMed:Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes. |
| PubMed:Chocolate feeding of pregnant mice influences length of limbs of their progeny. |
| PubMed:Producing decaffeinated coffee plants. |
| PubMed:[Simultaneous determination of various food additives by high performance liquid chromatography]. |
| PubMed:The role of Kupffer cells and TNF-alpha in monocrotaline and bacterial lipopolysaccharide-induced liver injury. |
| PubMed:Value assignment of nutrient concentrations in standard reference material 2384 baking chocolate. |
| PubMed:Inhibition of alkaline phosphatase activity of boar semen by pentoxifylline, caffeine, and theophylline. |
| PubMed:Characterization of T lymphocyte subtypes in endotoxin-induced uveitis and effect of pentoxifylline treatment. |
| PubMed:Caffeine potentiates the discriminative-stimulus effects of nicotine in rats. |
| PubMed:Extraction of methylxanthines from guaraná seeds, maté leaves, and cocoa beans using supercritical carbon dioxide and ethanol. |
| PubMed:Cacao usage by the earliest Maya civilization. |
| PubMed:Study of catechin and xanthine tea profiles as geographical tracers. |
| PubMed:Short-term toxicity of grass carp bile powder, 5alpha-cyprinol and 5alpha-cyprinol sulfate in rats. |
| PubMed:Simultaneous determination of artificial sweeteners, preservatives, caffeine, theobromine and theophylline in food and pharmaceutical preparations by ion chromatography. |
| PubMed:Food of the gods as mortals' medicine: the uses of choclate and cacao products. |
| PubMed:Developmental variation of sugars, carboxylic acids, purine alkaloids, fatty acids, and endoproteinase activity during maturation of Theobroma cacao L. seeds. |
| PubMed:Changes of gastric lipase activity after ethanol and indomethacin administration: influence of pretreatment with allopurinol, pentoxifylline and L-DOPA. |
| PubMed:Improved high-performance liquid chromatography method to determine theobromine and caffeine in cocoa and cocoa products. |
| PubMed:Integrating anti-tumor necrosis factor therapy in inflammatory bowel disease: current and future perspectives. |
| PubMed:Weight loss and delayed gastric emptying following a South American herbal preparation in overweight patients. |
| PubMed:Caffeine-induced cardiac arrhythmia: an unrecognised danger of healthfood products. |
| PubMed:Medical management of peripheral arterial disease. |
| PubMed:Uncertainty factors for chemical risk assessment. human variability in the pharmacokinetics of CYP1A2 probe substrates. |
| PubMed:Uncertainty factors for chemical risk assessment: interspecies differences in the in vivo pharmacokinetics and metabolism of human CYP1A2 substrates. |
| PubMed:Seizure activity and unresponsiveness after hydroxycut ingestion. |
| PubMed:Cytosolic xanthine oxidoreductase mediated bioactivation of ethanol to acetaldehyde and free radicals in rat breast tissue. Its potential role in alcohol-promoted mammary cancer. |
| PubMed:Bacterial lipopolysaccharide enhances aflatoxin B1 hepatotoxicity in rats by a mechanism that depends on tumor necrosis factor alpha. |
| PubMed:Inhibition of adenosine uptake and augmentation of ischemia-induced increase of interstitial adenosine by cilostazol, an agent to treat intermittent claudication. |
| PubMed:Pharmacokinetics of pentoxifylline in dogs after oral and intravenous administration. |
| PubMed:Caffeine and theobromine levels in selected Nigerian beverages. |
| PubMed:Dose independent pharmacokinetics of caffeine after intravenous administration under a chronic food-limited regimen. |
| PubMed:Caffeine and theobromine levels in chocolate couverture and coating products. |
| PubMed:Application of near-infrared reflectance spectroscopy to the simultaneous prediction of alkaloids and phenolic substances in green tea leaves. |
| PubMed:Extraction of purine alkaloids from maté (Ilex paraguariensis) using supercritical CO(2). |
| PubMed:Rapid analysis of methylated xanthines in teas by an improved high-performance liquid chromatographic method using a polyvinylpolypyrroridone pre-column. |
| PubMed:Striking regression of subcutaneous fibrosis induced by high doses of gamma rays using a combination of pentoxifylline and alpha-tocopherol: an experimental study. |
| PubMed:Nutritive value of hot water- or cocoa-pod ash solution-treated cocoa bean cake for broiler chicks. |
| PubMed:Inhibition of tumor necrosis factor alpha alters resistance to Mycobacterium avium complex infection in mice. |
| PubMed:Nitric oxide deficiency, leukocyte activation, and resultant ischemia are crucial to the pathogenesis of diabetic retinopathy/neuropathy--preventive potential of antioxidants, essential fatty acids, chromium, ginkgolides, and pentoxifylline. |
| PubMed:Liquid chromatographic determination of methylxanthines and catechins in herbal preparations containing guaraná. |
| PubMed:Determination of caffeine and its metabolites by micellar electrokinetic capillary electrophoresis. |
| PubMed:Recent advances in caffeine and theobromine toxicities: a review. |
| PubMed:Oxidation of caffeine and related methylxanthines in ascorbate and polyphenol-driven Fenton-type oxidations. |
| PubMed:Protein profiles and organoleptic properties of bread from wheat flour and full-fat or defatted fermented cocoa bean powder. |
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the principle alkaloid in theobroma cacao (the cacao bean) and other plants. a xanthine alkaloid that is used as a bronchodilator and as a vasodilator. it has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. it has practically no stimulant effect on the central nervous system. it was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (from martindale, the extra pharmacopoeia, 30th ed, pp1318-9) Constit. of tea leaves (Camellia thea), cocoa Theobroma cacao, cola nut (Cola acuminata) and guarana (Paullinia cupana); flavouring ingredient with a bitter taste
3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9) -- Pubchem; As a methylated xanthine, theobromine is a potent Cyclic adenosine monophosphate (cAMP) phosphodiesterase inhibitor; this means that it helps prevent the enzyme phosphodiesterase from converting the active cAMP to an inactive form. cAMP works as a second messenger in many hormone- and neurotransmitter-controlled metabolic systems, such as the breakdown of glycogen. When the inactivation of cAMP is inhibited by a compound such as theobromine, the effects of the neurotransmitter or hormone which stimulated the production of cAMP are much longer lived. The net result is generally a stimulatory effect.; As it is a myocardial stimulant as well as a vasodilator, it increases heartbeat, yet it also dilates blood vessels, causing a reduced blood pressure. However, a recent paper published suggested that the decrease in blood pressure may be caused by flavanols. Furthermore, its draining effect allows it to be used to treat cardiac failure, which can be caused by an excessive accumulation of fluid.; Even without dietary intake, theobromine may occur in the body as it is a product of the human metabolism of caffeine which is metabolised in the liver into 10% theobromine, 4% theophylline, and 80% paraxanthine.; In medicine, it is used as a diuretic, vasodilator, and myocardial stimulant. There is a possible association between prostate cancer and theobromine. -- Wikipedia; It is the primary alkaloid found in cocoa and chocolate, and is one of the causes for chocolate's mood-elevating effects. The amount found in chocolate is small enough that chocolate can be safely consumed by humans in large quantities, but animals that metabolize theobromine more slowly, such as cats and dogs, can easily consume enough chocolate to cause chocolate poisoning. -- Wikipedia; Theobromine is a bitter alkaloid of the methylxanthine family, which also includes the similar compounds theophylline and caffeine. Despite its name, the compound contains no bromine.Theobromine is derived from Theobroma, the genus of the cacao tree, which is composed of the Greek roots theo ("God") and broma ("food"), meaning "food of the gods". -- Wikipedia; Theobromine is a contributing factor in acid reflux because it relaxes the esophageal sphincter muscle, allowing stomach acid access to the esophagus. -- Wikipedia; Theobromine is a stimulant frequently confused with caffeine. Theobromine has very different effects on the human body from caffeine; Theobromine is a water insoluble, crystalline, bitter powder; the colour has been listed as either white or colourless. It has a similar, but lesser, effect to caffeine, making it a lesser homologue. Theobromine is an isomer of theophylline as well as paraxanthine. Theobromine is categorized as a dimethyl xanthine, which means it is a xanthine with two methyl groups.; Theobromine, also known as xantheose, is a bitter alkaloid of the cacao plant, found in chocolate, as well as in a number of chocolate-free foods made from theobromine sources including the leaves of the tea plant, the kola or cola nut, and acai berries[citation needed]. It is in the methylxanthine class of chemical compounds, which also includes the similar compounds theophylline and caffeine. (In caffeine, the only difference is that the NH group of theobromine is an N-CH3 group.) Despite its name, the compound contains no bromine ? theobromine is derived from Theobroma, the name of the genus of the cacao tree, (which itself is made up of the Greek roots theo ("God") and brosi ("food"), meaning "food of the gods") with the suffix -ine given to alkaloids and other basic nitrogen-containing compounds.; While theobromine and caffeine are similar in that they are related alkaloids, theobromine is weaker in both its inhibition of cyclic nucleotide phosphodiesterases and its antagonism of adenosine receptors. Therefore, theobromine has a lesser impact on the human central nervous system than caffeine. However, theobromine stimulates the heart to a greater degree.[citation needed] While theobromine is not as addictive, it has been cited as possibly causing addiction to chocolate. Theobromine has also been identified as one of the compounds contributing to chocolate's reputed role as an aphrodisiac.; it is a mild, lasting stimulant with a mood improving effect, whereas caffeine has a strong, immediate effect and increases stress. -- Wikipedia
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3D/inchi