acompound

Showing entry for Catechin 3-gallate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001869
Compound Name	Catechin 3-gallate
Structure
Formula	C22H18O10
InchiKey	LSHVYAFMTMFKBA-UHFFFAOYSA-N
SMILES	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Molecular Weight	442.37
Pubchem Id	367141
Chembl Id	CHEMBL328085

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	28000	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	28000	nM

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
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00149	Peach	Prunus persica	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	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}