acompound

Showing entry for methylenebissantin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053859
Compound Name	methylenebissantin
Structure
Formula	C37H32O14
InchiKey	PCEQWQQXZCRNCK-UHFFFAOYSA-N
SMILES	COc1c(O)c(Cc2c(O)c(OC)c(c3c2oc(c2ccc(cc2)OC)c(c3=O)OC)O)c2c(c1O)c(=O)c(c(o2)c1ccc(cc1)OC)OC
Inchi	InChI=1S/C37H32O14/c1-44-18-11-7-16(8-12-18)30-36(48-5)28(42)22-26(40)34(46-3)24(38)20(32(22)50-30)15-21-25(39)35(47-4)27(41)23-29(43)37(49-6)31(51-33(21)23)17-9-13-19(45-2)14-10-17/h7-14,38-41H,15H2,1-6H3
IUPAC	8-[[5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Weight	700.18
Pubchem Id	56835122
Chembl Id	CHEMBL1933858

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

n.a

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

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
Q965D5	BXGT019600	Enoyl-acyl-carrier protein reductase	unreviewed	-	fabI	IC50	'='	91130	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02833	Polygonatum zanlanscianense	Polygonatum zanlanscianense	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}