AromaDb: A Database of Plant's Aroma Molecules

Calamenene Details

: IUPAC Name
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
:Chemical Class
:CAS Registry Number
483-77-2
:Description

:Fragrance Type
spice

Physical and Chemical properties

PUBCHEM ID6429077
Molecular Weight (mg/mol)202.335
Molecular FormulaC15H22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
Canonical SMILESCc1ccc2c(c1)C(C(C)C)CCC2C
PUBCHEM IUPAC INCHIKEYPGTJIOWQJWHTJJ-STQMWFEESA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA5.1
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.04
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.32913 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 483-77-2
2 483-77-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 483-77-2 Calamenene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Abies sachalinensis Abies sachalinensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)