acompound

Showing entry for Mucusisoflavone C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042401
Compound Name	Mucusisoflavone C
Structure
Formula	C40H34O10
InchiKey	HCKWMBTVENMFOU-UHFFFAOYSA-N
SMILES	CC(=CC(c1c(O)cc(c2c1occ(c2=O)c1ccc(c(c1)CC=C(C)C)O)O)c1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2)O)C
Inchi	InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
IUPAC	8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Molecular Weight	674.22
Pubchem Id	53344647
Chembl Id	CHEMBL1812485

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
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	IC50	'='	7690	nM
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	Inhibition	'='	89	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01725	Ficus mucuso	Ficus mucuso	Human Edible 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}