AromaDb: A Database of Plant's Aroma Molecules

Cyclopentanone Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
120-92-3
:Description

:Fragrance Type
minty aroma??

Physical and Chemical properties

PUBCHEM ID8452
Molecular Weight (mg/mol)84.119
Molecular FormulaC5H8O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESO=C1CCCC1
PUBCHEM IUPAC INCHIKEYBGTOWKSIORTVQH-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.899

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level2
Absorption Level1
EXT PPB#Prediction0
AlogP980.858
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 ToxicityNon-Toxic
Rat Oral LD501.27993
Ocular IrritancyMild
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
1 120-92-3 AKR1C2 Homo sapiens [AKR1C2 protein co-treated with NADP] results in increased reduction of cyclopentanone affects^cotreatment|increases^reduction 23261716
2 120-92-3 AKR1C2 Homo sapiens Ursodeoxycholic Acid inhibits the reaction [[AKR1C2 protein co-treated with NADP] results in increased reduction of cyclopentanone] affects^cotreatment|decreases^reaction|increases^reduction 23261716
3 120-92-3 AKR1C3 Homo sapiens [AKR1C3 protein co-treated with NADP] results in increased reduction of cyclopentanone affects^cotreatment|increases^reduction 23261716
4 120-92-3 AKR1C3 Homo sapiens Medroxyprogesterone Acetate inhibits the reaction [[AKR1C3 protein co-treated with NADP] results in increased reduction of cyclopentanone] affects^cotreatment|decreases^reaction|increases^reduction 23261716
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 120-92-3 Cyclopentanone

Compound Image


2D Structure

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