AromaDb: A Database of Plant's Aroma Molecules

Delta-3-Carene Details

: IUPAC Name
(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
:Chemical Class
Monoterpene
:CAS Registry Number
498-15-7
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID443156
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
Canonical SMILESC/C1=C/CC2C(C1)C2(C)C
PUBCHEM IUPAC INCHIKEYBQOFWKZOCNGFEC-BDAKNGLRSA-N
Solubility Level3
Vapour Pressure0.238

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP982.872
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 LD500.836457 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
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
1 498-15-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 498-15-7 Delta-3-Carene

Compound Image


2D Structure

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(External database - ChemAxon)