AromaDb: A Database of Plant's Aroma Molecules

9-Cycloheptadecen-1-one Details

: IUPAC Name
Cycloheptadeca-9-en-1-one
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
Musky aroma

Physical and Chemical properties

PUBCHEM ID5315941
Molecular Weight (mg/mol)250.427
Molecular FormulaC17H30O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC NameCycloheptadeca-9-en-1-one
Canonical SMILESO=C1CCCCCCC/C=CCCCCCCC1
PUBCHEM IUPAC INCHIKEYZKVZSBSZTMPBQR-UPHRSURJSA-N
Solubility Level1
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA18.46
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.887
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.09431
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 9-Cycloheptadecen-1-one

Compound Image


2D Structure

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