AromaDb: A Database of Plant's Aroma Molecules

Alpha-Cedrene Epoxide Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
29597-36-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID122510
Molecular Weight (mg/mol)220.35
Molecular FormulaC15H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCC1CCC2C(C)(C)C4CC12CC3OC34C
PUBCHEM IUPAC INCHIKEYHZRFVTRTTXBHSE-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.619

Absorption and Metabolism information

XLOGP3 AA3.9
CACTVS TPSA12.5
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.956
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 LD500.755374 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
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 29597-36-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 29597-36-2 Alpha-Cedrene Epoxide

Compound Image


2D Structure

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