EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

pedunculagin

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CAS Number: 7045-42-3Picture of molecule3D/inchi
FDA UNII: 1KN18B7Y0X
XlogP3-AA:0.60 (est)
Molecular Weight:784.54768000
Formula:C34 H24 O22
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point:1556.94 °C. @ 760.00 mm Hg (est)
Flash Point: 898.00 °F. TCC ( 481.10 °C. ) (est)
logP (o/w): 1.293 (est)
Soluble in:
 water, 10.1 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
D-Glucose, cyclic2,3:4,6-bis[(1S)-4,4,5,5,6,6-hexahydroxy[1,1-biphenyl]-2,2-dicarboxylate]
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for pedunculagin usage levels up to:
 not for fragrance use.
 
Recommendation for pedunculagin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :165564
National Institute of Allergy and Infectious Diseases:Data
Chemidplus:0007045423
 
References:
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):165564
Pubchem (sid):135120681
 
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
KEGG (GenomeNet):C10236
HMDB (The Human Metabolome Database):Search
FooDB:FDB012753
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 clove leaf
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 guava bark
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 guava leaf
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 juglans spp.
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 pomegranate leaf
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 pomegranate stem bark
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 quercus spp.
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 raspberry red raspberry leaf
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 rubus spp.
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 rubus spp. plant
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 tea plant
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Synonyms:
 pedunculagin
 

Articles:

PubMed:Size and molecular flexibility affect the binding of ellagitannins to bovine serum albumin.
PubMed:Rapid profiling of phenolic compounds of green and fermented Bergenia crassifolia L. leaves by UPLC-DAD-QqQ-MS and HPLC-DAD-ESI-QTOF-MS.
PubMed:Inhibition of matrix metalloproteinase-1 and type-I procollagen expression by phenolic compounds isolated from the leaves of Quercus mongolica in ultraviolet-irradiated human fibroblast cells.
PubMed:Walnuts have potential for cancer prevention and treatment in mice.
PubMed:Evaluation of Phyllanthus emblica extract on cold pressor induced cardiovascular changes in healthy human subjects.
PubMed:Effects of Phyllanthus emblica extract on endothelial dysfunction and biomarkers of oxidative stress in patients with type 2 diabetes mellitus: a randomized, double-blind, controlled study.
PubMed:Phenolic constituents from Alchemilla vulgaris L. and Alchemilla mollis (Buser) Rothm. at different dates of harvest.
PubMed:An overview on antidiabetic medicinal plants having insulin mimetic property.
PubMed:Phenolic constituents from Alchemilla vulgaris L. and Alchemilla mollis (Buser) Rothm. at different dates of harvest.
PubMed:Antioxidant activity of isolated ellagitannins from red raspberries and cloudberries.
PubMed:Glutinoin, a novel antioxidative ellagitannin from Alnus glutinosa cones with glutinoic acid dilactone moiety.
PubMed:Simple solution for a complex problem: proanthocyanidins, galloyl glucoses and ellagitannins fit on a single calibration curve in high performance-gel permeation chromatography.
PubMed:Identification and quantification of phenolic compounds from pomegranate (Punica granatum L.) peel, mesocarp, aril and differently produced juices by HPLC-DAD-ESI/MS(n).
PubMed:ent-Eudesmane sesquiterpenoids, galloyl esters of the oak lactone precursor, and a 3-O-methylellagic acid glycoside from the wood of Platycarya strobilacea.
PubMed:Effect of pedunculagin investigated by non-invasive evaluation on atopic-like dermatitis in NC/Nga mice.
PubMed:Development of chromatographic methods for determination of agrimoniin and related polyphenols in pharmaceutical products.
PubMed:Euscaphinin, a new ellagitannin dimer from Euscaphis japonica (THUNB.) KANITZ.
PubMed:Fatty acid synthase inhibitors from Geum japonicum Thunb. var. chinense.
PubMed:Ellagitannin composition of blackberry as determined by HPLC-ESI-MS and MALDI-TOF-MS.
PubMed:[Studies on hydrolysable tannin constituents in seed of Juglans regia(I)].
PubMed:Anticancer and antioxidant tannins from Pimenta dioica leaves.
PubMed:Tannin composition affects the oxidative activities of tree leaves.
PubMed:Plant phenolics inhibit neutrophil elastase.
PubMed:Purification and biochemical characterization of a fibroblast growth factor-binding protein (FGF-BP) from the lactoferrin fraction of bovine milk.
PubMed:Pomegranate fruit extract modulates UV-B-mediated phosphorylation of mitogen-activated protein kinases and activation of nuclear factor kappa B in normal human epidermal keratinocytes paragraph sign.
PubMed:Effects of sample drying and storage, and choice of extraction solvent and analysis method on the yield of birch leaf hydrolyzable tannins.
PubMed:Effect of tannins from Quercus suber and Quercus coccifera leaves on ethanol-induced gastric lesions in mice.
PubMed:Effect of Emblica officinalis tannoids on a rat model of tardive dyskinesia.
PubMed:Antioxidant activity of tannoid principles of Emblica officinalis (amla) in chronic stress induced changes in rat brain.
PubMed:Further characterization of galloyl pedunculagin as an effective autophosphorylation inhibitor of C-kinase in vitro.
PubMed:Identification of hydrolysable tannins in the reaction zone of Eucalyptus nitens wood by high performance liquid chromatography--electrospray ionisation mass spectrometry.
PubMed:Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
PubMed:Seasonal variation in the content of hydrolysable tannins in leaves of Betula pubescens.
PubMed:Characterization of the polyphenolic composition of purple loosestrife (Lythrum salicaria).
PubMed:Biochemical characterization of galloyl pedunculagin (ellagitannin) as a selective inhibitor of the beta-regulatory subunit of A-kinase in vitro.
PubMed:Effect of bioactive tannoid principles of Emblica officinalis on iron-induced hepatic toxicity in rats.
PubMed:Antioxidant activity of active tannoid principles of Emblica officinalis (amla).
PubMed:Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
PubMed:Synthesis of Trideca-O-methyl-alpha-pedunculagin. Diastereo-Favoritism Studies on Intramolecular Ester-Cyclization of Axially Chiral Diphenic Acids with Carbohydrate Core.
PubMed:Ellagitannin Chemistry. First Total Synthesis of the 2,3- and 4,6-Coupled Ellagitannin Pedunculagin.
PubMed:Phenolic compounds from Duchesnea chrysantha and their cytotoxic activities in human cancer cell.
PubMed:Ellagitannins and complex tannins from Quercus petraea bark.
PubMed:Carbonic anhydrase inhibitors from the pericarps of Punica granatum L.
PubMed:Antitumor agents, 129. Tannins and related compounds as selective cytotoxic agents.
PubMed:In vitro screening of antimotility effect on human sperm with polyphenolic compounds purified from Chinese herbal medicines.
PubMed:Enzymatic sulfation of polyphenols related to tannins by arylsulfotransferase.
 
Notes:
None found
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