chalepensin, 13164-03-9

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CODE152851 CODE152851
Product(s):
13164-03-9 Chalepensin 98%
Chalepensin is a furanocoumarin found in several medicinal Rutaceae plants. Ch

CAS Number:	13164-03-9	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J15.415F
XlogP3-AA:	4.30 (est)
Molecular Weight:	254.28518000
Formula:	C16 H14 O3
BioActivity Summary:	listing
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:	390.50 °C. @ 760.00 mm Hg (est)
Flash Point:	374.00 °F. TCC ( 190.00 °C. ) (est)
logP (o/w):	4.320 (est)
Soluble in:
	water, 4.555 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.

Chalepensin 98%

Odor: characteristic

Use: Chalepensin is a furanocoumarin found in several medicinal Rutaceae plants. Ch

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 chalepensin usage levels up to:
	not for fragrance use.

Recommendation for chalepensin 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 :128834

National Institute of Allergy and Infectious Diseases:Data

6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one

Chemidplus:0013164039

References:

	6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	128834
Pubchem (sid):	135085713

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
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C09165
HMDB (The Human Metabolome Database):	Search
Typical G.C.
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

	rue Search Trop Picture
	ruta graveolens flower oil colombia @ 3.09% Data GC Search Trop Picture

Synonyms:

3-(alpha,alpha-	dimethyl allyl) psoralen
6-(1,1-	dimethyl allyl)-7H-furo(3,2-g)(1)benzopyran-7-one
6-(1-1-	dimethyl-2-propenyl)-7H-furo(3,2-g)(1)benzopyran-7-one
6-(1,1-	dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one
3-(alpha,alpha-	dimethylallyl)psoralen
7H-	furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethyl-2-propenyl)- (9CI)
6-(2-	methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
	xyloltenin

Articles:

PubMed:Mechanism-based inhibition of CYP1A1 and CYP3A4 by the furanocoumarin chalepensin.

PubMed:A dual function of the furanocoumarin chalepensin in inhibiting Cyp2a and inducing Cyp2b in mice: the protein stabilization and receptor-mediated activation.

PubMed:Furanocoumarins from Dorsteniafoetida.

PubMed:Mechanism-based inhibition of cytochrome P450 (CYP)2A6 by chalepensin in recombinant systems, in human liver microsomes and in mice in vivo.

PubMed:Allelochemicals from Stauranthus perforatus, a Rutaceous tree of the Yucatan Peninsula, Mexico.

PubMed:New quinoline alkaloids from Ruta chalepensis.

PubMed:High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).

PubMed:Effect of selected coumarins on spinach chloroplast photosynthesis.

PubMed:Antifertility principle of Ruta graveolens.

PubMed:[Photoisomerization of chalepensin to rutolide (Clausindin)].

Notes:

None found

chalepensin 6-(1,1-dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one

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Articles:

chalepensin
6-(1,1-dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one