acompound

Showing entry for 4-Methyl-1,2-benzenediol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004650
Compound Name	4-Methyl-1,2-benzenediol
Structure
Formula	C7H8O2
InchiKey	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
SMILES	CC1=CC=C(O)C(O)=C1
Inchi	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
IUPAC	4-methylbenzene-1,2-diol
Molecular Weight	124.14
Pubchem Id	9958
Chembl Id	CHEMBL158766

Targets of Information Source

DrugBank

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
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	-	cobT	experimental	-
P07773	BXGT006670	Catechol 1,2-dioxygenase	reviewed	-	catA	experimental	-

PDB

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
P07773	BXGT006670	Catechol 1,2-dioxygenase	reviewed	catA	-	-	-	-	-
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	cobT	-	-	-	-	-
P0A108	BXGT006977	1,2-dihydroxynaphthalene dioxygenase	reviewed	doxG	-	-	-	-	-
P80188	BXGT011882	Neutrophil gelatinase-associated lipocalin	reviewed	LCN2	Enzyme	-	-	-	-
P95607	BXGT012161	Catechol 1,2-dioxygenase	reviewed	catA	-	4000	-	-	-
Q7WYF5	BXGT017203	Catechol 2,3-dioxygenase	unreviewed	lapB	-	-	-	-	-
P30044	BXGT009395	Peroxiredoxin-5, mitochondrial	reviewed	PRDX5	-	-	-	330000	-
A0A4V8GZK8	BXGT023638	CatO2ase	unreviewed		-	-	-	-	-

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
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Inhibition	'='	24	%
P30044	BXGT009395	Peroxiredoxin-5, mitochondrial	reviewed	-	PRDX5	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00058	Coffee	Coffea	Coffee and coffee products
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00248	Beer		Beverages
BXGF00641	Cocoa powder		Cocoa and cocoa products
BXGF02620	Rosa chinensis	Rosa chinensis	Medicinal Plant
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF04224	Bistorta manshuriensis	Bistorta manshuriensis	Others

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}