AromaDb: A Database of Plant's Aroma Molecules

3-Acetylpyridine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
350-03-8
:Description

:Fragrance Type
popcorn

Physical and Chemical properties

PUBCHEM ID9589
Molecular Weight (mg/mol)121.14
Molecular FormulaC7H7NO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC Name
Canonical SMILESCC(=O)c1cnccn1
PUBCHEM IUPAC INCHIKEYWEGYGNROSJDEIW-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.112

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA59.44
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.419
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.538748
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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
1 350-03-8 GAD1 Rattus norvegicus 3-acetylpyridine results in increased expression of GAD1 mRNA increases^expression 8774452
2 350-03-8 GAD1 Rattus norvegicus 3-acetylpyridine results in increased expression of GAD1 mRNA increases^expression 8774452
3 350-03-8 GAD1 Rattus norvegicus Amphetamine inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA] decreases^reaction|increases^expression 8774452
4 350-03-8 GAD1 Rattus norvegicus Amphetamine inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA] decreases^reaction|increases^expression 8774452
5 350-03-8 GAD1 Rattus norvegicus Clenbuterol inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA] decreases^reaction|increases^expression 8774452
6 350-03-8 GAD1 Rattus norvegicus Clenbuterol inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA] decreases^reaction|increases^expression 8774452
7 350-03-8 GAD1 Rattus norvegicus Propranolol inhibits the reaction [Amphetamine inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA]] decreases^reaction|increases^expression 8774452
8 350-03-8 GAD1 Rattus norvegicus Propranolol inhibits the reaction [Amphetamine inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA]] decreases^reaction|increases^expression 8774452
9 350-03-8 GAD1 Rattus norvegicus Propranolol inhibits the reaction [Clenbuterol inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA]] decreases^reaction|increases^expression 8774452
10 350-03-8 GAD1 Rattus norvegicus Propranolol inhibits the reaction [Clenbuterol inhibits the reaction [3-acetylpyridine results in increased expression of GAD1 mRNA]] decreases^reaction|increases^expression 8774452
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 350-03-8 3-Acetylpyridine

Compound Image


2D Structure

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