acompound

Showing entry for Isoderrone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045969
Compound Name	Isoderrone
Structure
Formula	C20H16O5
InchiKey	CZOGIPODZHBTGK-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OC(C=C2)(C)C
Inchi	InChI=1S/C20H16O5/c1-20(2)6-5-11-3-4-12(7-16(11)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3
IUPAC	3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxychromen-4-one
Molecular Weight	336.1
Pubchem Id	44559672
Chembl Id	CHEMBL459201

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	-	-	-
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	Inhibition	'='	24	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04816	Erythrina vogelii	Erythrina vogelii	Others

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}