AromaDb: A Database of Plant's Aroma Molecules

Cis-Farnesal Details

: IUPAC Name
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
minty

Physical and Chemical properties

PUBCHEM ID5365890
Molecular Weight (mg/mol)220.35
Molecular FormulaC15H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
IUPAC Name(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
Canonical SMILESC/C(C)=CCC/C(C)=C/CC/C(C)=C/C=O
PUBCHEM IUPAC INCHIKEYYHRUHBBTQZKMEX-PVMFERMNSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA4.9
CACTVS TPSA17.1
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.016
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD506.15595 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 Cis-Farnesal

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Lemon grass Cymbopogan citratus essential oil

Compound Image


2D Structure

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(External database - ChemAxon)