AromaDb: A Database of Plant's Aroma Molecules

Farnesyl Acetone Details

: IUPAC Name
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
:Chemical Class
Sesquiterpene
:CAS Registry Number
1117-52-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID1711945
Molecular Weight (mg/mol)262.43
Molecular FormulaC18H30O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
IUPAC Name(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Canonical SMILESC/C(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)=O
PUBCHEM IUPAC INCHIKEYLTUMRKDLVGQMJU-IUBLYSDUSA-N
Solubility Level2
Vapour Pressure-3.547

Absorption and Metabolism information

XLOGP3 AA5.6
CACTVS TPSA17.1
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.586
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD504.05123 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 1117-52-8
2 1117-52-8 NA NA Antimicrobial activity Propionibacterium acnes ATCC 11827 after 2 days by broth dilution method Active 8158169
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1117-52-8 Farnesyl Acetone

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Periwinkle, Sadabahar, Sadafuli Dhawal Catharanthus roseus dhawal essential oil
2 Blackcurrant Ribes nigrum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)