acompound

Showing entry for 3,4-methylenedioxy-2',4'-dimethoxychalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039701
Compound Name	3,4-methylenedioxy-2',4'-dimethoxychalcone
Structure
Formula	C18H16O5
InchiKey	XMQLRMQKCIIQEY-XVNBXDOJSA-N
SMILES	COc1ccc(c(c1)OC)C(=O)/C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C18H16O5/c1-20-13-5-6-14(17(10-13)21-2)15(19)7-3-12-4-8-16-18(9-12)23-11-22-16/h3-10H,11H2,1-2H3/b7-3+
IUPAC	(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
Molecular Weight	312.1
Pubchem Id	5319619
Chembl Id	CHEMBL1945702

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	BXGT012314	Probable low molecular weight protein-tyrosine-phosphatase	reviewed		ptpA	-	101000	-	-

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
P96830	BXGT012188	Uncharacterized protein	unreviewed	-	MT0162	IC50	-	-	-
P9WIA1	BXGT012314	Probable low molecular weight protein-tyrosine-phosphatase	reviewed	-	ptpA	Inhibition	'='	42	%
P96830	BXGT012188	Uncharacterized protein	unreviewed	-	MT0162	Inhibition	'='	0	%
P9WIA1	BXGT012314	Probable low molecular weight protein-tyrosine-phosphatase	reviewed	-	ptpA	IC50	'='	101000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03747	Millettia erythrocalyx	Millettia erythrocalyx	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}