acompound

Showing entry for 1-(2,6-Dihydroxyphenyl)Ethanone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014896
Compound Name	1-(2,6-Dihydroxyphenyl)Ethanone
Structure
Formula	C8H8O3
InchiKey	YPTJKHVBDCRKNF-UHFFFAOYSA-N
SMILES	CC(=O)c1c(O)cccc1O
Inchi	InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
IUPAC	1-(2,6-dihydroxyphenyl)ethanone
Molecular Weight	152.05
Pubchem Id	69687
Chembl Id	CHEMBL454739

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	BXGT020507	Solute carrier family 28 member 3	reviewed	Transporter	SLC28A3	>100000	-	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>300000	-	-

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
Q9HAS3	BXGT020507	Solute carrier family 28 member 3	reviewed	Transporter	SLC28A3	Ki	'>'	100000	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	25118	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	300000	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	15848	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	446683	nM
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00118	Nutmeg	Myristica fragrans	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}