AromaDb: A Database of Plant's Aroma Molecules

Trans-Verbenol Details

: IUPAC Name
(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
:Chemical Class
Alcohol
:CAS Registry Number
1820-09-3
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID89664
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
Canonical SMILESC/C1=C/C(O)C2CC1C2(C)C
PUBCHEM IUPAC INCHIKEYWONIGEXYPVIKFS-VGMNWLOBSA-N
Solubility Level3
Vapour Pressure-1.653

Absorption and Metabolism information

XLOGP3 AA1.6
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.838
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.626861 g/kg_body_weight
Ocular IrritancySevere
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 1820-09-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1820-09-3 Trans-Verbenol

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)