acompound

Showing entry for 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002026
Compound Name	2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Structure
Formula	C16H12O7
InchiKey	QWUHUBDKQQPMQG-UHFFFAOYSA-N
SMILES	COC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
IUPAC	2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one
Molecular Weight	316.26
Pubchem Id	31161
Chembl Id	CHEMBL476314

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	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	302	-	-

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
Q86831	BXGT017584	Polyprotein II	unreviewed	-		Inhibition	'='	91	%
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	302	nM
A0A173Z7B1	BXGT026155	Alpha-glucosidase	unreviewed	-	yicI	IC50	'='	60000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF02164	Isodon japonica var. glaucocalyx	Isodon japonica var. glaucocalyx	Others
BXGF02348	Physalis angulata	Physalis angulata	Medicinal Plant
BXGF02482	Isodon amethystoides	Isodon amethystoides	Medicinal Plant
BXGF02512	Rabdosia excisa	Rabdosia excisa	Medicinal Plant
BXGF03892	Sesamum indicum	Sesamum indicum	0
BXGF04163	Isodon serra	Isodon serra	Others
BXGF04477	Artemisia vestita	Artemisia vestita	Medicinal Plant
BXGF05204	Erigeron breviscapus	Erigeron breviscapus	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}