AromaDb: A Database of Plant's Aroma Molecules

Epicurzerenone Details

: IUPAC Name
(5R,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
:Chemical Class
Alcohol
:CAS Registry Number
:Description

:Fragrance Type
spice

Physical and Chemical properties

PUBCHEM ID5317062
Molecular Weight (mg/mol)230.30222
Molecular FormulaC15H18O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name(5R,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Canonical SMILESC=CC2(C)Cc1occ(C)c1C(=O)C2C(=C)C
PUBCHEM IUPAC INCHIKEYZVMJXSJCBLRAPD-DZGCQCFKSA-N
Solubility Level
Vapour Pressure-3.829

Absorption and Metabolism information

XLOGP3 AA3
CACTVS TPSA30.2 A^2
BBB Level
Absorption Level
EXT PPB#Prediction
AlogP98
EXT CYP2D6#Prediction

Toxicological Information

Mouse Female FDA
Mouse Male FDA
Rat Female FDA
Rat Male FDA
Ames Prediction
Developmental / Reproductive Toxicity
Rat Oral LD50
Ocular Irritancy
Hepatotoxic#Prediction
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Hazard(s) Identification

Physical hazardsnot classified
Health hazards
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)

Compound Image


2D Structure

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(External database - ChemAxon)