acompound

Showing entry for Lupinisoflavone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0009372
Compound Name	Lupinisoflavone A
Structure
Formula	C20H16O6
InchiKey	DOGAHANJPKBCGB-UHFFFAOYSA-N
SMILES	CC(=C)C1CC2=C(O)C3=C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)C=C2O1
Inchi	InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
IUPAC	6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(prop-1-en-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one
Molecular Weight	352.34
Pubchem Id	5319901
Chembl Id	CHEMBL332078

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
P31214	BXGT009516	3-oxo-5-alpha-steroid 4-dehydrogenase 2	reviewed	-	Srd5a2	IC50	'='	15700	nM
P24008	BXGT008940	3-oxo-5-alpha-steroid 4-dehydrogenase 1	reviewed	-	Srd5a1	IC50	'='	15700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00037	Pigeon pea	Cajanus cajan	Pulses
BXGF00370	White lupine	Lupinus albus	Pulses
BXGF00819	Pulses		Pulses

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}