AromaDb: A Database of Plant's Aroma Molecules

Khusimol Details

: IUPAC Name
Khusimol
:Chemical Class
Alcohol
:CAS Registry Number
:Description

:Fragrance Type
sweet

Physical and Chemical properties

PUBCHEM ID86575103
Molecular Weight (mg/mol)220.35046
Molecular FormulaC15H24O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESC=C3C1CCC(CO)C12CCC(C2)C3(C)C
PUBCHEM IUPAC INCHIKEYOOYRHNIVDZZGQV-LPXQKFACSA-N
Solubility Level
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level
Absorption Level
EXT PPB#Prediction
AlogP98
EXT CYP2D6#Prediction

Toxicological Information

Mouse Female FDA
Mouse Male FDA
Rat Female FDA
Rat Male FDA
Ames Prediction
Developmental / Reproductive Toxicity
Rat Oral LD50
Ocular Irritancy
Hepatotoxic#Prediction
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Hazard(s) Identification

Physical hazardsnot classified
Health hazards
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)

Compound Image


2D Structure

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(External database - ChemAxon)