AromaDb: A Database of Plant's Aroma Molecules

Caryophyllene epoxide Details

: IUPAC Name
beta-Caryophylleneoxide
:Chemical Class
:CAS Registry Number
1139-30-6
:Description

:Fragrance Type
spicy aroma??????

Physical and Chemical properties

PUBCHEM ID1742210
Molecular Weight (mg/mol)220.357
Molecular FormulaC15H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Namebeta-Caryophylleneoxide
Canonical SMILESC=C2CC[C@H]1O[C@]1(C)CC[C@@H]3[C@@H]2CC3(C)C
PUBCHEM IUPAC INCHIKEYNVEQFIOZRFFVFW-RGCMKSIDSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA9.23
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.519
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 LD501.13262
Ocular IrritancyMild
Hepatotoxic#Prediction1
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 1139-30-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1139-30-6 Caryophyllene epoxide

Compound Image


2D Structure

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