acompound

Showing entry for (E)-3,2',4'-Trihydroxychalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016800
Compound Name	(E)-3,2',4'-Trihydroxychalcone
Structure
Formula	C15H12O4
InchiKey	WKMQGQZPDSFACZ-QPJJXVBHSA-N
SMILES	Oc1ccc(c(c1)O)C(=O)/C=C/c1cccc(c1)O
Inchi	InChI=1S/C15H12O4/c16-11-3-1-2-10(8-11)4-7-14(18)13-6-5-12(17)9-15(13)19/h1-9,16-17,19H/b7-4+
IUPAC	(E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	256.07
Pubchem Id	15680254
Chembl Id	CHEMBL1083821

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	-	8030	-	-
reviewed	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed		XDH	-	27000	-	-

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
P9WHH3	BXGT012295	Mycothione reductase	reviewed	-	mtr	Inhibition	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	108000	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	27000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04250	Galenia africana	Galenia africana	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}