AromaDb: A Database of Plant's Aroma Molecules

Curzerene Details

: IUPAC Name
(6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydro-4H-benzofuran
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID5316217
Molecular Weight (mg/mol)216.325
Molecular FormulaC15H20O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name(6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydro-4H-benzofuran
Canonical SMILESC=C[C@]2(C)Cc1occ(C)c1CC2C(=C)C
PUBCHEM IUPAC INCHIKEYHICAMHOOTMOHPA-AWKYBWMHSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.29
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.09
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.214203
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 Curzerene

Compound Image


2D Structure

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