acompound

Showing entry for 3',4'-Dimethylquercetin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0008743
Compound Name	3',4'-Dimethylquercetin
Structure
Formula	C17H14O7
InchiKey	MHALJYZRPGYQSI-UHFFFAOYSA-N
SMILES	COC1=C(OC)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Inchi	InChI=1S/C17H14O7/c1-22-11-4-3-8(5-12(11)23-2)17-16(21)15(20)14-10(19)6-9(18)7-13(14)24-17/h3-7,18-19,21H,1-2H3
IUPAC	2-(3,4-dimethoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Molecular Weight	330.29
Pubchem Id	5487855
Chembl Id	CHEMBL2043330

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
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	PT	'='	5	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	TT	'='	9	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	APTT	'='	58	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	Activity	'='	6	g/L

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00822	Beverages		Beverages
BXGF00823	Fruits		Fruits
BXGF04230	Sigesbeckia pubescens	Sigesbeckia pubescens	Others
BXGF04768	Sigesbeckia glabrescens	Sigesbeckia glabrescens	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04923	Caesalpinia sappan	Caesalpinia sappan	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}