AromaDb: A Database of Plant's Aroma Molecules

Germacrene Details

: IUPAC Name
(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID20111820
Molecular Weight (mg/mol)208.383
Molecular FormulaC15H28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene
Canonical SMILESCC(C)C1CCC(C)/C=C/CC(C)CC1
PUBCHEM IUPAC INCHIKEYIQSPYJZCWMAJLU-IXSFSPNOSA-N
Solubility Level1
Vapour Pressure-1.651

Absorption and Metabolism information

XLOGP3 AA6.3
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.58
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 LD501.91842 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

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 Germacrene

Compound Image


2D Structure

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(External database - ChemAxon)