AromaDb: A Database of Plant's Aroma Molecules

Alpha-Muurolene Details

: IUPAC Name
(1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
:Chemical Class
:CAS Registry Number
10208-80-7
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12306047
Molecular Weight (mg/mol)204.351
Molecular FormulaC15H24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name(1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
Canonical SMILESC/C1=C/C2C(CC1)/C(C)=CCC2C(C)C
PUBCHEM IUPAC INCHIKEYQMAYBMKBYCGXDH-ZNMIVQPWSA-N
Solubility Level2
Vapour Pressure-1.561

Absorption and Metabolism information

XLOGP3 AA4.1
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP984.744
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 LD501.46861 g/kg_body_weight
Ocular IrritancyMild
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 10208-80-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 10208-80-7 Alpha-Muurolene

Compound Image


2D Structure

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(External database - ChemAxon)