AromaDb: A Database of Plant's Aroma Molecules

Dendrolasin Details

: IUPAC Name
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5316534
Molecular Weight (mg/mol)218.335
Molecular FormulaC15H22O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
Canonical SMILESC/C(C)=CCC/C(C)=C/CCc1ccoc1
PUBCHEM IUPAC INCHIKEYLZBXPXAOYQVZEC-RIYZIHGNSA-N
Solubility Level2
Vapour Pressure-2.538

Absorption and Metabolism information

XLOGP3 AA5.1
CACTVS TPSA13.1
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.073
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.46439 g/kg_body_weight
Ocular IrritancyNone
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Dendrolasin

Compound Image


2D Structure

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(External database - ChemAxon)