acompound

Showing entry for isolupalbigenin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051217
Compound Name	isolupalbigenin
Structure
Formula	C25H26O5
InchiKey	FXJPTJQFJYNFKC-UHFFFAOYSA-N
SMILES	CC(=CCc1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2CC=C(C)C)O)C
Inchi	InChI=1S/C25H26O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-25-18(9-6-15(3)4)21(27)12-22(28)23(25)24(19)29/h5-6,8,10-13,26-28H,7,9H2,1-4H3
IUPAC	5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one
Molecular Weight	406.18
Pubchem Id	26238934
Chembl Id	CHEMBL461061

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
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	RBA	'='	0	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'>'	95	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	RBA	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00848	Mundu	Garcinia dulcis	Fruits
BXGF04029	Lupinus luteus	Lupinus luteus	Medicinal Plant
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}