AromaDb: A Database of Plant's Aroma Molecules

L-Arginine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
123-11-5
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID6322
Molecular Weight (mg/mol)174.206
Molecular FormulaC8H8O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESCOc1ccc(C=O)cc1
PUBCHEM IUPAC INCHIKEYZRSNZINYAWTAHE-UHFFFAOYSA-N
Solubility Level5
Vapour Pressure-1.354

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP98-1.352
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.322377
Ocular IrritancyModerate
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
2 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
3 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
4 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-11-5 L-Arginine

Compound Image


2D Structure

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