acompound

Showing entry for Epigallocatechin 3-(3-methylgallate)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0009550
Compound Name	Epigallocatechin 3-(3-methylgallate)
Structure
Formula	C23H20O11
InchiKey	WVRDOLPMKOCJRJ-DENIHFKCSA-N
SMILES	COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O
Inchi	InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
IUPAC	(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4-dihydroxy-5-methoxybenzoate
Molecular Weight	472.4
Pubchem Id	9804842
Chembl Id	CHEMBL562716

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	BXGT010788	Matrix metalloproteinase-14	reviewed	Enzyme	MMP14	-	1700	-	-
reviewed	BXGT006874	Matrilysin	reviewed	Enzyme	MMP7	-	20000	-	-
reviewed	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	8700	-	-

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
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	8700	nM
P09237	BXGT006874	Matrilysin	reviewed	Enzyme	MMP7	IC50	'='	20000	nM
P02768	BXGT005955	Serum albumin	reviewed	Transporter	ALB	Activity	-	-	-
P50281	BXGT010788	Matrix metalloproteinase-14	reviewed	Enzyme	MMP14	IC50	'='	1700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00432	Sesbania flower	Sesbania bispinosa	Vegetables
BXGF00878	Lespedeza bicolor	Lespedeza bicolor	Medicinal Plant
BXGF01208	Angelica lucida	Angelica lucida	Human Edible Plant
BXGF01229	Strophanthus kombe	Strophanthus kombe	Medicinal Plant
BXGF01271	Castanea vesca	Castanea vesca	Others
BXGF01626	Nerine bowdenii	Nerine bowdenii	Others
BXGF01630	Cotula cinerea	Cotula cinerea	Medicinal Plant
BXGF01706	Daphniphyllum paxianum	Daphniphyllum paxianum	Others
BXGF03219	Hymenoxys insignis	Hymenoxys insignis	Others
BXGF05195	Limonium sinense	Limonium sinense	Others
BXGF05522	Solidago serotina	Solidago serotina	Others
BXGF05689	Artemisia klotzchiana	Artemisia klotzchiana	Others
BXGF05732	Mimusops caffra	Mimusops caffra	Human Edible Plant
BXGF05967	Veronica arvensis	Veronica arvensis	Medicinal Plant
BXGF06167	Sorbaria sorbifolia	Sorbaria sorbifolia	Medicinal Plant
BXGF06183	Adina sessilifolia	Adina sessilifolia	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}