AromaDb: A Database of Plant's Aroma Molecules

A-Eudesmol Details

: IUPAC Name
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
:Chemical Class
:CAS Registry Number
473-16-5
:Description

:Fragrance Type
sweet

Physical and Chemical properties

PUBCHEM ID92762
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Canonical SMILESC/C1=C/CCC2(C)CCC(C(C)(C)O)CC12
PUBCHEM IUPAC INCHIKEYFCSRUSQUAVXUKK-VNHYZAJKSA-N
Solubility Level2
Vapour Pressure-3.204

Absorption and Metabolism information

XLOGP3 AA3.5
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.665
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.23581 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesFGF2, CREB1, VEGFA

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
1 473-16-5 NA NA NA NA NA
2 473-16-5 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 473-16-5 A-Eudesmol

Compound Image


2D Structure

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(External database - ChemAxon)