acompound

Showing entry for 4-acetylbenzoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033907
Compound Name	4-acetylbenzoic acid
Structure
Formula	C9H8O3
InchiKey	QBHDSQZASIBAAI-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc(cc1)C(=O)O
Inchi	InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
IUPAC	4-acetylbenzoic acid
Molecular Weight	164.05
Pubchem Id	11470
Chembl Id	CHEMBL130010

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}