acompound

Showing entry for 3,4-Dimethylphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004663
Compound Name	3,4-Dimethylphenol
Structure
Formula	C8H10O
InchiKey	YCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES	CC1=CC=C(O)C=C1C
Inchi	InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
IUPAC	3,4-dimethylphenol
Molecular Weight	122.16
Pubchem Id	7249
Chembl Id	CHEMBL192008

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	-

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
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	cobT	-	-	-	-	-
O84957	BXGT005231	Positive phenol-degradative gene regulator	unreviewed	poxR	-	-	-	-	-

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	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	-	1030000	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	-	930000	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	-	49050	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	-	41300	-	-

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
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	53080	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	50118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00818	Herbs and Spices		Herbs and Spices

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}