acompound

Showing entry for 3-Hydroxy-4,5-Dimethoxybenzoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015880
Compound Name	3-Hydroxy-4,5-Dimethoxybenzoic Acid
Structure
Formula	C9H10O5
InchiKey	WFIBQVFJXGQICQ-UHFFFAOYSA-N
SMILES	COc1cc(cc(c1OC)O)C(=O)O
Inchi	InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
IUPAC	3-hydroxy-4,5-dimethoxybenzoic acid
Molecular Weight	198.05
Pubchem Id	74709
Chembl Id	CHEMBL85234

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

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
reviewed	BXGT010864	Thiopurine S-methyltransferase	reviewed		TPMT	-	19952.62	-	-

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
P51580	BXGT010864	Thiopurine S-methyltransferase	reviewed	-	TPMT	IC50	'='	19952	nM
P22734	BXGT008799	Catechol O-methyltransferase	reviewed	-	Comt	Kii	'='	521	uM
P22734	BXGT008799	Catechol O-methyltransferase	reviewed	-	Comt	Inhibition	-	-	-
P22734	BXGT008799	Catechol O-methyltransferase	reviewed	-	Comt	Kis	'='	999	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03682	Imperata cylindrica	Imperata cylindrica	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}