acompound

Showing entry for 2'-Hydroxy-3,4',6'-Trimethoxychalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045800
Compound Name	2'-Hydroxy-3,4',6'-Trimethoxychalcone
Structure
Formula	C18H18O5
InchiKey	AOXAMOYDMUNFNC-BQYQJAHWSA-N
SMILES	COc1cccc(c1)/C=C/C(=O)c1c(O)cc(cc1OC)OC
Inchi	InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b8-7+
IUPAC	(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
Molecular Weight	314.12
Pubchem Id	14034811
Chembl Id	CHEMBL406837

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	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	260	-	-

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
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	Inhibition	-	-	-
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	260	nM
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	Inhibition	'='	93	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	Inhibition	'='	97	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	-	-	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04178	Piper methysticum	Piper methysticum	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}