AromaDb: A Database of Plant's Aroma Molecules

Oleoamide Details

: IUPAC Name
(E)-octadec-9-enamide
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5353370
Molecular Weight (mg/mol)281.477
Molecular FormulaC18H35NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
IUPAC Name(E)-octadec-9-enamide
Canonical SMILESCCCCCCCC/C=C/CCCCCCCC(N)=O
PUBCHEM IUPAC INCHIKEYFATBGEAMYMYZAF-MDZDMXLPSA-N
Solubility Level2
Vapour Pressure-6.511

Absorption and Metabolism information

XLOGP3 AA6.6
CACTVS TPSA43.1
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.233
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD505.72274 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 Oleoamide

Compound Image


2D Structure

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