acompound

Showing entry for (-)-Epiafzelechin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002055
Compound Name	(-)-Epiafzelechin
Structure
Formula	C15H14O5
InchiKey	RSYUFYQTACJFML-UKRRQHHQSA-N
SMILES	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C=C(O)C=C2O
Inchi	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
IUPAC	(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight	274.27
Pubchem Id	443639
Chembl Id	CHEMBL159303

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	-	15000	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	6400	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	69700	-	-

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'='	69700	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	15000	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	6400	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	48	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	26	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00004	Kiwi	Actinidia chinensis	Fruits
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00823	Fruits		Fruits
BXGF00947	Artocarpus dadah	Artocarpus dadah	Medicinal Plant
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF03282	Ephedra intermedia	Ephedra intermedia	Medicinal Plant
BXGF03667	Ephedra distachya	Ephedra distachya	Medicinal Plant
BXGF03766	Drynaria fortunei	Drynaria fortunei	Medicinal Plant
BXGF04564	Ephedra equisetina	Ephedra equisetina	Medicinal Plant
BXGF05630	Celastrus orbiculatus	Celastrus orbiculatus	Medicinal Plant
BXGF06007	Canthium berberidifolium	Canthium berberidifolium	Medicinal Plant
BXGF06243	Bauhinia racemosa	Bauhinia racemosa	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}