AromaDb: A Database of Plant's Aroma Molecules

Bovolide Details

: IUPAC Name
4-Hydroxy-2,3-dimethyl-2,4-nonadienoicacidgamma-lactone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID6433214
Molecular Weight (mg/mol)180.249
Molecular FormulaC11H16O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
IUPAC Name4-Hydroxy-2,3-dimethyl-2,4-nonadienoicacidgamma-lactone
Canonical SMILESCCCCC=c1oc(=O)c(C)c1C
PUBCHEM IUPAC INCHIKEYMTQPZHNZYWAXEH-JXMROGBWSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.301
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.565699
Ocular IrritancySevere
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 Bovolide

Compound Image


2D Structure

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