AromaDb: A Database of Plant's Aroma Molecules

Verbenene Details

: IUPAC Name
6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
:Chemical Class
Alkene
:CAS Registry Number
4080-46-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6427476
Molecular Weight (mg/mol)134.218
Molecular FormulaC10H14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
Canonical SMILESC=C1/C=CC2CC1C2(C)C
PUBCHEM IUPAC INCHIKEYYOQFOABVDRBYCG-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.03

Absorption and Metabolism information

XLOGP3 AA2.9
CACTVS TPSA0
BBB Level1
Absorption Level1
EXT PPB#Prediction1
AlogP982.482
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 LD501.38583 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 4080-46-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4080-46-0 Verbenene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil

Compound Image


2D Structure

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(External database - ChemAxon)