acompound

Showing entry for 7-O-Galloyltricetiflavan

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042215
Compound Name	7-O-Galloyltricetiflavan
Structure
Formula	C22H18O10
InchiKey	XQLJWQWRTLHKGO-UHFFFAOYSA-N
SMILES	Oc1cc(cc2c1CCC(O2)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Inchi	InChI=1S/C22H18O10/c23-13-7-11(31-22(30)10-5-16(26)21(29)17(27)6-10)8-19-12(13)1-2-18(32-19)9-3-14(24)20(28)15(25)4-9/h3-8,18,23-29H,1-2H2
IUPAC
Molecular Weight	442.09
Pubchem Id	11669392
Chembl Id	CHEMBL498441

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
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	15	ug.mL-1
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	logIC50	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06041	Pithecellobium clypearia	Pithecellobium clypearia	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}