acompound

Showing entry for 2-(3,4-Dihydroxyphenyl)-3,7-Dihydroxy-5-Methoxychromen-4-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036099
Compound Name	2-(3,4-Dihydroxyphenyl)-3,7-Dihydroxy-5-Methoxychromen-4-One
Structure
Formula	C16H12O7
InchiKey	RJBAXROZAXAEEM-UHFFFAOYSA-N
SMILES	COc1cc(O)cc2c1c(=O)c(c(o2)c1ccc(c(c1)O)O)O
Inchi	InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
IUPAC	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one
Molecular Weight	316.06
Pubchem Id	5281604
Chembl Id	CHEMBL470848

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	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	-	740	-	-

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
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	Inhibition	'='	100	%
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	IC50	'='	740	nM
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	Inhibition	'='	120	%
P04792	BXGT006264	Heat shock protein beta-1	reviewed	-	HSPB1	Activity	-	-	-
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	Activity	'='	5	g/L
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	APTT	'='	49	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	PT	'='	7	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	TT	'='	19	s

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01082	Hemsleya graciliflora	Hemsleya graciliflora	Medicinal Plant
BXGF01806	Rhododendron mucronatum	Rhododendron mucronatum	Medicinal Plant
BXGF02363	Rhododendron luteum	Rhododendron luteum	Others
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02551	Inula britannica	Inula britannica	Medicinal Plant
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF04450	Senna lindheimeriana	Senna lindheimeriana	Others
BXGF05488	Endiandra xanthocarpa	Endiandra xanthocarpa	Others
BXGF05604	Tetracera asiatica	Tetracera asiatica	Others
BXGF06169	Catunaregam spinosa	Catunaregam spinosa	Medicinal Plant
BXGF06176	Helichrysum subulifolium	Helichrysum subulifolium	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}