AromaDb: A Database of Plant's Aroma Molecules

Carvone Details

: IUPAC Name
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
:Chemical Class
Monoterpene
:CAS Registry Number
6485-40-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID439570
Molecular Weight (mg/mol)150.218
Molecular FormulaC10H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Canonical SMILESC=C(C)C1C/C=C(C)C(=O)C1
PUBCHEM IUPAC INCHIKEYULDHMXUKGWMISQ-SECBINFHSA-N
Solubility Level3
Vapour Pressure-1.124

Absorption and Metabolism information

XLOGP3 AA2.4
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.501
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.41698 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesMAPK1

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 6485-40-1
2 6485-40-1
3 6485-40-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6485-40-1 Carvone

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 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
3 Scotch spearmint Pratik Mentha x gracilis Pratik essential oil
4 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
5 Peppermint Tushar Mentha piperita Tushar essential oil
6 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
7 Spearmint Arka Mentha spicata Arka essential oil
8 Spearmint MSS-5 Mentha spicata MSS-5 essential oil
9 Spearmint Neera Mentha spicata Neera essential oil
10 Spearmint Neerkalka Mentha spicata Neerkalka essential oil
11 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
12 American wild mint Mentha essential canadensis essential oil
13 Garden Mint, Pudina Ganga Mentha Viridis essential oil
14 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
15 Lemongrass CIMAP-Suwarna Cymbopogon flexuosus CIMAP-Suwarna essential oil
16 Gum rockrose Cistus ladanifer essential oil
17 Gum rockrose Cistus ladanifer ESSENTIAL OIL
18 Garden heliotrope Galium odoratum essential oil
19 Abies sachalinensis Abies sachalinensis essential oil
20 Yellow bugle Ajuga chamaepitys essential oil
21 Lemon verbena Aloysia citrodora essential oil
22 Anethum graveolens Anethum graveolens essential oil
23 Bottlebrushes Callistemon citrinus essential oil
24 Coriandrum Sativum Coriandrum sativum essential oil
25 Coriandrum Sativum Coriandrum sativum essential oil
26 Dracocephalum moldavica NA

Compound Image


2D Structure

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(External database - ChemAxon)