AromaDb: A Database of Plant's Aroma Molecules

Beta-cedrene Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
546-28-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID11106485
Molecular Weight (mg/mol)204.351
Molecular FormulaC15H24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name
Canonical SMILESC=C1CCC23CC1C(C)(C)C2CCC3C
PUBCHEM IUPAC INCHIKEYDYLPEFGBWGEFBB-OSFYFWSMSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA4.9
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.177
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 LD501.5473 g/kg_body_weight
Ocular IrritancySevere
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
1 546-28-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 546-28-1 Beta-cedrene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Southern magnolia Magnolia grandiflora essential oil
2 Anaphalis contorta Anaphalis contorta essential oil

Compound Image


2D Structure

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(External database - ChemAxon)