acompound

Showing entry for 3-Methylcatechol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000125
Compound Name	3-Methylcatechol
Structure
Formula	C7H8O2
InchiKey	PGSWEKYNAOWQDF-UHFFFAOYSA-N
SMILES	CC1=CC=CC(O)=C1O
Inchi	InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
IUPAC	3-methylbenzene-1,2-diol
Molecular Weight	124.14
Pubchem Id	340
Chembl Id	CHEMBL1173328

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
P47228	BXGT010570	Biphenyl-2,3-diol 1,2-dioxygenase	reviewed	-	bphC	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
P47228	BXGT010570	Biphenyl-2,3-diol 1,2-dioxygenase	reviewed	bphC	-	-	-	-	-
Q6REQ5	BXGT016508	Catechol 2,3-dioxygenase	unreviewed	akbC	-	-	-	-	-
P95607	BXGT012161	Catechol 1,2-dioxygenase	reviewed	catA	-	6500	-	-	-

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

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
BXGF04909	Hippophae fructus	Hippophae fructus	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}