AromaDb: A Database of Plant's Aroma Molecules

Ambrettolide Details

: IUPAC Name
Omega-6-Hexadecenlactone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
musk

Physical and Chemical properties

PUBCHEM ID5365703
Molecular Weight (mg/mol)252.4
Molecular FormulaC5H13N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC NameOmega-6-Hexadecenlactone
Canonical SMILESCC[C@H](C)CN
PUBCHEM IUPAC INCHIKEYVJROPLWGFCORRM-YFKPBYRVSA-N
Solubility Level2
Vapour Pressure1.218

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA63.31
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.306
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.5907
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

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 Ambrettolide

Compound Image


2D Structure

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