AromaDb: A Database of Plant's Aroma Molecules

6-Hydroxycarvone Details

: IUPAC Name
3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
:Chemical Class
Monoterpene
:CAS Registry Number
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID380816
Molecular Weight (mg/mol)166.217
Molecular FormulaC10H14O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Canonical SMILESC=C(C)C1CC(=O)/C(C)=C(O)C1
PUBCHEM IUPAC INCHIKEYXPEAPCMHDFIXFL-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.728

Absorption and Metabolism information

XLOGP3 AA1.8
CACTVS TPSA37.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.828
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 LD501.24455 g/kg_body_weight
Ocular IrritancySevere
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6-Hydroxycarvone

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Scotch spearmint MCAS-2 Mentha X gracilis MCAS-2 essential oil
2 Scotch spearmint Pratik Mentha x gracilis Pratik essential oil

Compound Image


2D Structure

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(External database - ChemAxon)