chalepensin
6-(1,1-dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one
Identification
| Name | chalepensin |
| CAS Number | 13164-03-9 |
| FDA UNII | Search |
| Molecular Formula | C16 H14 O3 |
| Molecular Weight | 254.28518000 |
| Nikkaji Number | J15.415F |
Regulatory
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) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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. |
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Potential Uses
Natural Occurrence
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
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)].