AromaDb: A Database of Plant's Aroma Molecules

13-Epi-Manoyl-Oxide Details

: IUPAC Name
(3S,4aR,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
:Chemical Class
Ketone
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID91752338
Molecular Weight (mg/mol)290.483
Molecular FormulaC20H34O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(3S,4aR,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
Canonical SMILESC=CC3(C)CCC2C(C)(CCC1C(C)(C)CCCC12C)O3
PUBCHEM IUPAC INCHIKEYIGGWKHQYMAJOHK-SSLTWDDKSA-N
Solubility Level1
Vapour Pressure-4.083

Absorption and Metabolism information

XLOGP3 AA5.9
CACTVS TPSA9.2
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.036
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 ToxicityToxic
Rat Oral LD502.32028 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 13-Epi-Manoyl-Oxide

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil

Compound Image


2D Structure

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(External database - ChemAxon)