AromaDb: A Database of Plant's Aroma Molecules

Fenchone Details

: IUPAC Name
2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
:Chemical Class
:CAS Registry Number
1195-79-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID14525
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
Canonical SMILESCC1(C)C(=O)C2(C)CCC1C2
PUBCHEM IUPAC INCHIKEYLHXDLQBQYFFVNW-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.286

Absorption and Metabolism information

XLOGP3 AA2.3
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.497
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 LD501.62781 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human GenesCYP2B6, CYP2A6, CYP2S1

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 1195-79-5 ACHE Electrophorus electricus fenchone results in decreased activity of ACHE protein decreases^activity 25636489
2 1195-79-5 NR3C1 Homo sapiens fenchone binds to and results in decreased activity of NR3C1 protein affects^binding|decreases^activity 27633901
3 1195-79-5 PPARG Homo sapiens fenchone binds to and results in decreased activity of PPARG protein affects^binding|decreases^activity 27633901
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1195-79-5 Fenchone

Compound Image


2D Structure

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(External database - ChemAxon)