acompound

Showing entry for Wighteone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034516
Compound Name	Wighteone
Structure
Formula	C20H18O5
InchiKey	KIMDVVKVNNSHGZ-UHFFFAOYSA-N
SMILES	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C
Inchi	InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
IUPAC	5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Molecular Weight	338.12
Pubchem Id	5281814
Chembl Id	CHEMBL393222

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

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
reviewed	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	-	>100000	-	-

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	RBA	'='	0	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'>'	50	ug.mL-1
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	RBA	'='	0	%
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	Inhibition	'='	42	%
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	Inhibition	'='	49	%
Q9BJJ9	BXGT020099	Enoyl-ACP reductase	unreviewed	-	FabI	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	19	%
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	IC50	'>'	100000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00994	Piper dilatatum	Piper dilatatum	Medicinal Plant
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF02852	Sophora flavescens	Sophora flavescens	Medicinal Plant
BXGF04150	Erycibe expansa	Erycibe expansa	Medicinal Plant
BXGF04488	Calotropis procera	Calotropis procera	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04946	Erythrina variegate	Erythrina variegate	Others
BXGF04967	Cudrania tricuspidata	Cudrania tricuspidata	Medicinal Plant
BXGF05582	Amaranthus spinosus	Amaranthus spinosus	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal 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}