acompound

Showing entry for 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3,8-Dimethoxychromen-4-One

General Compound Information
BXGC Id	BXGC0022957
Compound Name	2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3,8-Dimethoxychromen-4-One
Structure
Formula	C17H14O8
InchiKey	RRYQDECFPVYHLR-UHFFFAOYSA-N
SMILES	COc1c(oc2c(c1=O)c(O)cc(c2OC)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C17H14O8/c1-23-15-11(21)6-10(20)12-13(22)17(24-2)14(25-16(12)15)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxychromen-4-one
Molecular Weight	346.07
Pubchem Id	5748553
Chembl Id	CHEMBL162550

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

50412289

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	-	239.88	-	-

CHEMBL

CHEMBL162550

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	239	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00025	Common beet	Beta vulgaris	Vegetables
BXGF00897	Afrocarpus falcatus	Afrocarpus falcatus	Medicinal Plant
BXGF02669	Canella winterana	Canella winterana	Medicinal Plant
BXGF03003	Flemingia chappar	Flemingia chappar	Medicinal Plant
BXGF03304	Sporobolus cynosuroides	Sporobolus cynosuroides	Others
BXGF03544	Nicotiana debneyi	Nicotiana debneyi	Others
BXGF03669	Clausena lansium	Clausena lansium	Medicinal Plant
BXGF03690	Narcissus obesus	Narcissus obesus	Others
BXGF03823	Thalictrum cultratum	Thalictrum cultratum	Medicinal Plant
BXGF03842	Turricula parryi	Turricula parryi	Others
BXGF03862	Sophora exigua	Sophora exigua	Others
BXGF03881	Acacia pycnantha	Acacia pycnantha	Medicinal Plant
BXGF03952	Ericameria diffusa	Ericameria diffusa	Others
BXGF04032	Ocotea pulchella	Ocotea pulchella	Others
BXGF04040	Uncaria laevigata	Uncaria laevigata	Medicinal Plant
BXGF04093	Lippia mexicana	Lippia mexicana	Human Edible Plant
BXGF04139	Carlina acaulis	Carlina acaulis	Medicinal Plant
BXGF04145	Salvia digitaloides	Salvia digitaloides	Medicinal Plant
BXGF04154	Eumorphia sericea	Eumorphia sericea	Others
BXGF04162	Asterogyne martiana	Asterogyne martiana	Others
BXGF04181	Eupatorium birmanicum	Eupatorium birmanicum	Medicinal Plant
BXGF04206	Cirsium tanakae	Cirsium tanakae	Human Edible Plant
BXGF04246	Chrysosplenium echinus	Chrysosplenium echinus	Others
BXGF04253	Eriostemon thryptomenoides	Eriostemon thryptomenoides	Others
BXGF04282	Beilschmiedia volckii	Beilschmiedia volckii	Others
BXGF04290	Garcinia pseudoguttifera	Garcinia pseudoguttifera	Medicinal Plant
BXGF04305	Heliotropium eichwaldii	Heliotropium eichwaldii	Medicinal Plant
BXGF04311	Berkheya zeyheri	Berkheya zeyheri	Human Edible Plant
BXGF04314	Xanthium pungens	Xanthium pungens	Others
BXGF04320	Ligularia lamarum	Ligularia lamarum	Others
BXGF04322	Baccharis magellanica	Baccharis magellanica	Others
BXGF04339	Thermopsis alpina	Thermopsis alpina	Medicinal Plant
BXGF04352	Aloe vulgaris	Aloe vulgaris	Human Edible Plant
BXGF04762	Gutierrezia microcephala	Gutierrezia microcephala	Others
BXGF06112	Daphne giraldii	Daphne giraldii	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}