acompound

Showing entry for Isowighteone Hydrate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042449
Compound Name	Isowighteone Hydrate
Structure
Formula	C20H18O5.H2O
InchiKey	WFALQMZTKNBBMO-UHFFFAOYSA-N
SMILES	CC(=CCc1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2)O)C.O
Inchi	InChI=1S/C20H18O5.H2O/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24;/h3,5-10,21-23H,4H2,1-2H3;1H2
IUPAC	5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one;hydrate
Molecular Weight	338.12
Pubchem Id	56676507
Chembl Id	CHEMBL1812593

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	Inhibition	'='	51	%
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	IC50	'='	248300	nM

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}