acompound

Showing entry for 2,2',4,4'-Tetrahydroxychalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035692
Compound Name	2,2',4,4'-Tetrahydroxychalcone
Structure
Formula	C15H12O5
InchiKey	ZWTDXYUDJYDHJR-QHHAFSJGSA-N
SMILES	Oc1ccc(c(c1)O)/C=C/C(=O)c1ccc(cc1O)O
Inchi	InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
IUPAC	(E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one
Molecular Weight	272.07
Pubchem Id	10107266
Chembl Id	CHEMBL394855

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	620	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	5000	-	-

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	5000	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'>'	40	ug.mL-1
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	160	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF06217	Morus mongolica	Morus mongolica	Medicinal Plant

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}