AromaDb: A Database of Plant's Aroma Molecules

Zingiberene Details

: IUPAC Name
(5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene
:Chemical Class
:CAS Registry Number
495-60-3
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID92776
Molecular Weight (mg/mol)204.357
Molecular FormulaC15H24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
IUPAC Name(5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene
Canonical SMILESC/C(C)=C/CC[C@H](C)[C@@H]1/C=CC(C)=C/C1
PUBCHEM IUPAC INCHIKEYKKOXKGNSUHTUBV-LSDHHAIUSA-N
Solubility Level2
Vapour Pressure-1.977

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA13.14
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.08
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 LD503.24785
Ocular IrritancyNone
Hepatotoxic#Prediction0
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
1 495-60-3
2 495-60-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 495-60-3 Zingiberene

Compound Image


2D Structure

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