AromaDb: A Database of Plant's Aroma Molecules

Cedrol Details

: IUPAC Name
NA
:Chemical Class
Sesquiterpene
:CAS Registry Number
77-53-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID65575
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCC1CCC2C(C)(C)C3CC12CCC3(C)O
PUBCHEM IUPAC INCHIKEYSVURIXNDRWRAFU-OGMFBOKVSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA3.9
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.157
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 LD501.84691 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 77-53-2 ESR1 Homo sapiens cedrol binds to and results in increased activity of ESR1 protein affects^binding|increases^activity 27633901
2 77-53-2 ESR2 Homo sapiens cedrol binds to and results in increased activity of ESR2 protein affects^binding|increases^activity 27633901
3 77-53-2 PTAFR Oryctolagus cuniculus cedrol inhibits the reaction [Platelet Activating Factor binds to PTAFR protein] affects^binding|decreases^reaction 11488464
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 77-53-2 Cedrol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Abies sachalinensis Abies sachalinensis essential oil
2 Yellow bugle Ajuga chamaepitys essential oil
3 Lemon verbena Aloysia citrodora essential oil

Compound Image


2D Structure

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(External database - ChemAxon)