AromaDb: A Database of Plant's Aroma Molecules

Cis-Alpha-Santalol Details

: IUPAC Name
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methylpent-2-en-1-ol
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description

:Fragrance Type
sweet

Physical and Chemical properties

PUBCHEM ID6857559
Molecular Weight (mg/mol)220.35
Molecular FormulaC15H24O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methylpent-2-en-1-ol
Canonical SMILESC/C(=CCCC3(C)C1CC2C(C1)C23C)CO
PUBCHEM IUPAC INCHIKEYPDEQKAVEYSOLJX-WTFAMLOTSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA4
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.032
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 LD502.76122 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 Cis-Alpha-Santalol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Chandan Santalum album essential oil
2 Kuth Saussurea lappa essential oil

Compound Image


2D Structure

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(External database - ChemAxon)