acompound

Showing entry for 3,7-Dimethylquercetin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000043
Compound Name	3,7-Dimethylquercetin
Structure
Formula	C17H14O7
InchiKey	LUJAXSNNYBCFEE-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
IUPAC	2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Molecular Weight	330.29
Pubchem Id	5280417
Chembl Id	CHEMBL164861

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	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	-	12300	-	-
reviewed	BXGT011014	Mitogen-activated protein kinase 10	reviewed	Kinase	MAPK10	-	7700	-	-
reviewed	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	-	1020	-	-
reviewed	BXGT005639	Plasminogen	reviewed	Enzyme	PLG	-	1500	-	-

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
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	Activity	'='	7	g/L
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	APTT	'='	54	s
P00747	BXGT005639	Plasminogen	reviewed	Enzyme	PLG	IC50	'='	1500	nM
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	Inhibition	'='	88	%
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	Inhibition	-	-	-
Q9NPH5	BXGT021159	NADPH oxidase 4	reviewed	Enzyme	NOX4	IC50	'='	1020	nM
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	TT	'='	22	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	PT	'='	7	s

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00248	Beer		Beverages
BXGF00570	Grape wine		Beverages
BXGF02031	Scopolia tangutica	Scopolia tangutica	Others
BXGF02351	Libanothamnus occultus	Libanothamnus occultus	Others
BXGF04923	Caesalpinia sappan	Caesalpinia sappan	Medicinal Plant
BXGF04945	Lonchocarpus yucatanensis	Lonchocarpus yucatanensis	Others
BXGF05727	Cardopatium corymbosum	Cardopatium corymbosum	Others
BXGF05780	Sidastrum tehuacanum	Sidastrum tehuacanum	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}