AromaDb: A Database of Plant's Aroma Molecules

Epicurzercenone Details

: IUPAC Name
(5R,6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID5317062
Molecular Weight (mg/mol)230.309
Molecular FormulaC15H18O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
IUPAC Name(5R,6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
Canonical SMILESC=C[C@]2(C)Cc1occ(C)c1C(=O)[C@@H]2C(=C)C
PUBCHEM IUPAC INCHIKEYZVMJXSJCBLRAPD-DZGCQCFKSA-N
Solubility Level2
Vapour Pressure-3.829

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.309
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.223468
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Epicurzercenone

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures