acompound

Showing entry for Catechin Gallate

General Compound Information
BXGC Id	BXGC0049368
Compound Name	Catechin Gallate
Structure
Formula	C22H18O10
InchiKey	LSHVYAFMTMFKBA-PZJWPPBQSA-N
SMILES	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O
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/t19-,21+/m0/s1
IUPAC	[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	442.09
Pubchem Id	5276454
Chembl Id	CHEMBL483083

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

XEG

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
P00366	BXGT005516	Glutamate dehydrogenase 1, mitochondrial	reviewed	GLUD1	-	-	-	-	-
Q8N6T7	BXGT018525	NAD-dependent protein deacetylase sirtuin-6	reviewed	SIRT6	Epigenetic regulator	-	-	-	-

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

CHEMBL483083

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
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	Ki	'='	230	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00106	Mango	Mangifera indica	Fruits
BXGF00787	Yellow pond-lily	Nuphar lutea	Herbs and Spices
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00924	Phoenix loureiroi	Phoenix loureiroi	Medicinal Plant
BXGF00926	Larix cajanderi	Larix cajanderi	Others
BXGF00968	Thalictrum longistylum	Thalictrum longistylum	Medicinal Plant
BXGF01010	Sextonia rubra	Sextonia rubra	Others
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF01181	Atylosia trinervia	Atylosia trinervia	Others
BXGF01219	Salvia parryi	Salvia parryi	Others
BXGF01232	Vateria indica	Vateria indica	Medicinal Plant
BXGF01264	Cedrus libani	Cedrus libani	Medicinal Plant
BXGF01272	Iris ensata	Iris ensata	Medicinal Plant
BXGF01297	Justicia paniculata	Justicia paniculata	Medicinal Plant
BXGF01340	Khaya ivorensis	Khaya ivorensis	Medicinal Plant
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01425	Craspidospermum verticillatum	Craspidospermum verticillatum	Others
BXGF01472	Cerinthe minor	Cerinthe minor	Others
BXGF01502	Ixeris stolonifera	Ixeris stolonifera	Medicinal Plant
BXGF01516	Petasites georgicus	Petasites georgicus	Others
BXGF01535	Cephalaria grossheimii	Cephalaria grossheimii	Others
BXGF01638	Lotus japonicus	Lotus japonicus	Others
BXGF01679	Melaleuca rhaphiophylla	Melaleuca rhaphiophylla	Others
BXGF01708	Narcissus concolor	Narcissus concolor	Others
BXGF01726	Senecio renardii	Senecio renardii	Medicinal Plant
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF02375	Helianthus maximiliani	Helianthus maximiliani	Medicinal Plant
BXGF02471	Cassia kleinii	Cassia kleinii	Others
BXGF02728	Ageratina dendroides	Ageratina dendroides	Others
BXGF02863	Bromelia plumieri	Bromelia plumieri	Human Edible Plant
BXGF02989	Turpinia ternata	Turpinia ternata	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03230	Ehretia dicksonii	Ehretia dicksonii	Medicinal Plant
BXGF03788	Cornus kousa	Cornus kousa	Medicinal Plant
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF04177	Cordylanthus kingii	Cordylanthus kingii	Others
BXGF04194	Fagopyrum dibotrys	Fagopyrum dibotrys	Medicinal Plant
BXGF04401	Annona impressivenia	Annona impressivenia	Others
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04556	Xyris pterygoblephara	Xyris pterygoblephara	Others
BXGF04728	Alseodaphne corneri	Alseodaphne corneri	Others
BXGF04730	Thymus piperella	Thymus piperella	Human Edible Plant
BXGF04736	Capnoides sempervirens	Capnoides sempervirens	Others
BXGF04739	Forsteronia refracta	Forsteronia refracta	Others
BXGF04742	Eragrostis viscosa	Eragrostis viscosa	Medicinal Plant
BXGF04747	Nauclea officinalis	Nauclea officinalis	Medicinal Plant
BXGF04753	Grewia mollis	Grewia mollis	Medicinal Plant
BXGF04765	Heterotheca grandiflora	Heterotheca grandiflora	Others
BXGF04771	Croton cumingii	Croton cumingii	Medicinal Plant
BXGF04775	Bersama yangambiensis	Bersama yangambiensis	Others
BXGF04783	Ruta pinnata	Ruta pinnata	Medicinal Plant
BXGF04795	Disynaphia halimifolia	Disynaphia halimifolia	Others
BXGF04821	Kaunia saltensis	Kaunia saltensis	Others
BXGF04826	Heliotropium floridum	Heliotropium floridum	Others
BXGF04835	Castanopsis sclerophylla	Castanopsis sclerophylla	Medicinal Plant
BXGF04839	Gymnocarpium robertianum	Gymnocarpium robertianum	Others
BXGF04846	Oncoba echinata	Oncoba echinata	Others
BXGF04851	Salvia dorrii	Salvia dorrii	Others
BXGF04858	Teucrium depressum	Teucrium depressum	Others
BXGF04866	Aconitum nevadense	Aconitum nevadense	Others
BXGF04871	Trichilia rubescens	Trichilia rubescens	Others
BXGF04874	Conocephalum japonicum	Conocephalum japonicum	Others
BXGF04880	Hovenia acerba	Hovenia acerba	Medicinal Plant
BXGF04885	Stevia polycephala	Stevia polycephala	Others
BXGF04893	Sophora angustifolia	Sophora angustifolia	Others
BXGF04901	Kaempferia marginata	Kaempferia marginata	Medicinal Plant
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05064	Fridericia chica	Fridericia chica	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05244	Elephantopus mollis	Elephantopus mollis	Medicinal Plant
BXGF05245	Doodia picta	Doodia picta	Others
BXGF05295	Gomortega keule	Gomortega keule	Human Edible Plant
BXGF05517	Quercus robur	Quercus robur	Medicinal Plant
BXGF05524	Rumex nepalensis	Rumex nepalensis	Medicinal Plant
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05776	Picea mariana	Picea mariana	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05828	Viguiera oblongifolia	Viguiera oblongifolia	Others
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	Medicinal Plant
BXGF06034	Viburnum urceolatum	Viburnum urceolatum	Others
BXGF06088	Euryops algoensis	Euryops algoensis	Others
BXGF06096	Artemisia schimperi	Artemisia schimperi	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06263	Litsea pungens	Litsea pungens	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}