acompound

Showing entry for 4'-O-Me-Ent-Gallocatechin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031134
Compound Name	4'-O-Me-Ent-Gallocatechin
Structure
Formula	C16H16O7
InchiKey	ITDYPNOEEHONAH-HIFRSBDPSA-N
SMILES	COc1c(O)cc(cc1O)[C@@H]1Oc2cc(O)cc(c2C[C@H]1O)O
Inchi	InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15+/m1/s1
IUPAC	(2S,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Weight	320.09
Pubchem Id	10087345
Chembl Id	CHEMBL465620

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	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	12000	-	-

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
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	12000	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	61	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00865	Hyoscyamus pusillus	Hyoscyamus pusillus	Medicinal Plant
BXGF00980	Parameria laevigata	Parameria laevigata	Medicinal Plant
BXGF01503	Astragalus bicuspis	Astragalus bicuspis	Others
BXGF01761	Styrax agrestis	Styrax agrestis	Others
BXGF01884	Justicia adhatoda	Justicia adhatoda	Medicinal Plant
BXGF05291	Teucrium marum	Teucrium marum	Medicinal Plant
BXGF05810	Pterocarpus indicus	Pterocarpus indicus	Medicinal Plant
BXGF06010	Hibiscus schizopetalus	Hibiscus schizopetalus	Medicinal Plant
BXGF06061	Flemingia macrophylla	Flemingia macrophylla	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}