acompound

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

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029722
Compound Name	2,2',4'-Trihydroxychalcone
Structure
Formula	C15H12O4
InchiKey	MACMAADVRVVHBD-VMPITWQZSA-N
SMILES	Oc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1O
Inchi	InChI=1S/C15H12O4/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+
IUPAC	(E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	256.07
Pubchem Id	5811533
Chembl Id	CHEMBL148472

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	-	2450	-	-
reviewed	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed		CHRNA7	-	-	-	4000

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
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	EC50	'='	4000	nM
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'='	47000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	Ratio	'='	2	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	-	-	-
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	4	uM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	380	nM
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'='	53000	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	56800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03142	Soymida febrifuga	Soymida febrifuga	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}