AromaDb: A Database of Plant's Aroma Molecules

Argeol Details

: IUPAC Name
Santalolalpha&beta
:Chemical Class
:CAS Registry Number
74-79-3
:Description

:Fragrance Type
sweet, tenacious

Physical and Chemical properties

PUBCHEM ID24832102
Molecular Weight (mg/mol)220.357
Molecular FormulaC6H14N4O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameSantalolalpha&beta
Canonical SMILESN/C(N)=N/CCC[C@H](N)C(=O)O
PUBCHEM IUPAC INCHIKEYODKSFYDXXFIFQN-BYPYZUCNSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
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
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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 74-79-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 74-79-3 Argeol

Compound Image


2D Structure

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