acompound

Showing entry for 2,6-Dimethylphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004662
Compound Name	2,6-Dimethylphenol
Structure
Formula	C8H10O
InchiKey	NXXYKOUNUYWIHA-UHFFFAOYSA-N
SMILES	CC1=CC=CC(C)=C1O
Inchi	InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
IUPAC	2,6-dimethylphenol
Molecular Weight	122.16
Pubchem Id	11335
Chembl Id	CHEMBL30106

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

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
P02791	BXGT005965	Ferritin light chain	reviewed	FTL	-	-	-	2400000	-

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	198300	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	113500	-	-	-
reviewed	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	-	-	-	125892.54
reviewed	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	-	-	-	199526.23

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	18	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	891	nM
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	199526	nM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	EC50	'='	199526	nM
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	EC50	'='	199526	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	113500	nM
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	125892	nM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	EC50	'='	125892	nM
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	EC50	'='	125892	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	198300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00806	Alcoholic beverages		Beverages
BXGF00813	Coffee and coffee products		Coffee and coffee products

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}