AromaDb: A Database of Plant's Aroma Molecules

Linalyl anthranilate Details

: IUPAC Name
Linalylanthranilate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
Gardenia

Physical and Chemical properties

PUBCHEM ID23535
Molecular Weight (mg/mol)273.378
Molecular FormulaC17H23NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
IUPAC NameLinalylanthranilate
Canonical SMILESC=C[C@](C)(CC/C=C(C)/C)OC(=O)c1ccccc1N
PUBCHEM IUPAC INCHIKEYWHIJSULEEDNKPD-QGZVFWFLSA-N
Solubility Level2
Vapour Pressure-5.347

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA18.46
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP984.032
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 ToxicityNon-Toxic
Rat Oral LD504.66456
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
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 Linalyl anthranilate

Compound Image


2D Structure

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