Showing entry for Epicatechin 3-gallate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009209
Compound NameEpicatechin 3-gallate
Structure
FormulaC22H18O10
InchiKeyLSHVYAFMTMFKBA-TZIWHRDSSA-N
SMILESOC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1
InchiInChI=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-/m1/s1
IUPAC(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Molecular Weight442.38
Pubchem Id107905
Chembl IdCHEMBL36327
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 50153015
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 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 - 3802 - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 - 4467 - -
reviewed BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 2070 - - -
reviewed BXGT010985 Death-associated protein kinase 1 reviewed Kinase DAPK1 - >300000 - -
reviewed BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET - 10000 - -
reviewed BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 - 1470 - -
reviewed BXGT007320 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI reviewed fabI - 10000 - -
reviewed BXGT007700 Glucose-6-phosphate 1-dehydrogenase reviewed ZWF1 - 180 - -
reviewed BXGT010923 6-phosphogluconate dehydrogenase, decarboxylating reviewed Enzyme PGD - 210 - -
reviewed BXGT007788 Fatty acid synthase reviewed FASN - 42000 - -
reviewed BXGT007788 Fatty acid synthase reviewed FASN - 68000 - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 3460 - - -
CHEMBL CHEMBL36327
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
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI IC50 '=' 200 nM
P11412 BXGT007700 Glucose-6-phosphate 1-dehydrogenase reviewed - ZWF1 IC50 '=' 180 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ke '=' 1900 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Intrinsic activity - - -
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Activity - - -
P27540 BXGT009190 Aryl hydrocarbon receptor nuclear translocator reviewed Transcription factor ARNT Activity - - -
P53355 BXGT010985 Death-associated protein kinase 1 reviewed Kinase DAPK1 IC50 '>' 300000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 25 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 46 %
P12276 BXGT007788 Fatty acid synthase reviewed - FASN IC50 '=' 42000 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Activity - - -
P10415 BXGT007567 Apoptosis regulator Bcl-2 reviewed Signaling BCL2 Ki '=' 229 nM
P0AEK4 BXGT007320 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI reviewed - fabI IC50 '=' 10000 nM
P00374 BXGT005520 Dihydrofolate reductase reviewed Enzyme DHFR Activity '=' 1 uM
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET IC50 '=' 10000 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ke '=' 1500 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Intrinsic activity - - -
Q72547 BXGT016709 Reverse transcriptase/RNaseH unreviewed - pol Inhibition '=' 5 %
Q965D6 BXGT019601 3-oxoacyl-acyl-carrier protein reductase unreviewed - fabG IC50 '=' 1000 nM
P12276 BXGT007788 Fatty acid synthase reviewed - FASN IC50 '=' 68000 nM
Q965D7 BXGT019602 Beta-hydroxyacyl-ACP dehydratase unreviewed - fabZ IC50 '=' 400 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI IC50 '=' 500 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 16 nM
Q72874 BXGT016711 Pol polyprotein unreviewed - pol IC50 - - -
P52209 BXGT010923 6-phosphogluconate dehydrogenase, decarboxylating reviewed Enzyme PGD IC50 '=' 210 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Activity '=' 85 %
Q14576 BXGT013487 ELAV-like protein 3 reviewed - ELAVL3 IC50 '=' 200 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Intrinsic activity - - -
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Activity - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ke '=' 1700 nM
P10415 BXGT007567 Apoptosis regulator Bcl-2 reviewed Signaling BCL2 Ki '=' 400 nM
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 Activity - - -
Q72547 BXGT016709 Reverse transcriptase/RNaseH unreviewed - pol IC50 '=' 760 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 291 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 102 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 IC50 '=' 3801 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Activity '=' 69 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 IC50 '=' 4466 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Ki '=' 3460 nM
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 Inhibition '=' 79 %
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Inhibition '=' 79 %
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET Inhibition - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 IC50 '=' 1470 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Ki '=' 2070 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00014 Custard apple Annona reticulata Fruits
BXGF00023 Star fruit Averrhoa carambola Fruits
BXGF00038 Tea Camellia sinensis Teas
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00083 Strawberry Fragaria X ananassa Fruits
BXGF00105 Apple Malus pumila Fruits
BXGF00107 German camomile Matricaria recutita Herbs and Spices
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00114 Medlar Mespilus germanica Fruits
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00145 Sweet cherry Prunus avium Fruits
BXGF00154 Garden rhubarb Rheum rhabarbarum Vegetables
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00213 European cranberry Vaccinium oxycoccos Fruits
BXGF00223 Peach (var.) Prunus persica var. persica Fruits
BXGF00296 Carob Ceratonia siliqua Vegetables
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00459 Wax gourd Benincasa hispida Gourds
BXGF00570 Grape wine Beverages
BXGF00787 Yellow pond-lily Nuphar lutea Herbs and Spices
BXGF00824 Green vegetables Vegetables
BXGF00852 Triaenophora rupestris Triaenophora rupestris Others
BXGF00857 Mitracarpus scaber Mitracarpus scaber Others
BXGF00892 Leptocereus quadricostatus Leptocereus quadricostatus Others
BXGF00919 Chaiturus marrubiastrum Chaiturus marrubiastrum Others
BXGF00924 Phoenix loureiroi Phoenix loureiroi Medicinal Plant
BXGF00926 Larix cajanderi Larix cajanderi Others
BXGF00931 Ipomoea digitata Ipomoea digitata Medicinal Plant
BXGF00968 Thalictrum longistylum Thalictrum longistylum Medicinal Plant
BXGF01010 Sextonia rubra Sextonia rubra Others
BXGF01034 Annona cornifolia Annona cornifolia Human Edible Plant
BXGF01045 Dioscorea japonica Dioscorea japonica Medicinal Plant
BXGF01174 Salvia syriaca Salvia syriaca Others
BXGF01181 Atylosia trinervia Atylosia trinervia Others
BXGF01187 Onobrychis arenaria Onobrychis arenaria Others
BXGF01204 Solanum laxum Solanum laxum Medicinal Plant
BXGF01219 Salvia parryi Salvia parryi Others
BXGF01264 Cedrus libani Cedrus libani Medicinal Plant
BXGF01272 Iris ensata Iris ensata Medicinal Plant
BXGF01283 Crataegus pinnatifida Crataegus pinnatifida Medicinal Plant
BXGF01297 Justicia paniculata Justicia paniculata Medicinal Plant
BXGF01311 Aizopsis selskiana Aizopsis selskiana Others
BXGF01340 Khaya ivorensis Khaya ivorensis Medicinal Plant
BXGF01425 Craspidospermum verticillatum Craspidospermum verticillatum Others
BXGF01456 Eucalyptus melliodora Eucalyptus melliodora 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
BXGF01555 Scutellaria amoena Scutellaria amoena Medicinal Plant
BXGF01570 Pinalia stricta Pinalia stricta Others
BXGF01597 Senegalia catechu Senegalia catechu Medicinal Plant
BXGF01614 Goniothalamus malayanus Goniothalamus malayanus Others
BXGF01623 Amphorogyne spicata Amphorogyne spicata Others
BXGF01638 Lotus japonicus Lotus japonicus Others
BXGF01679 Melaleuca rhaphiophylla Melaleuca rhaphiophylla Others
BXGF01695 Tanacetum coccineum Tanacetum coccineum Medicinal Plant
BXGF01726 Senecio renardii Senecio renardii Medicinal Plant
BXGF01760 Hypericum ascyron Hypericum ascyron Medicinal Plant
BXGF01789 Aristolochia zollingeriana Aristolochia zollingeriana Others
BXGF01799 Mandragora autumnalis Mandragora autumnalis Medicinal Plant
BXGF01827 Melochia tomentosa Melochia tomentosa Others
BXGF01834 Lysimachia mauritiana Lysimachia mauritiana Others
BXGF01883 Swertia franchetiana Swertia franchetiana Medicinal Plant
BXGF01931 Dalbergia lanceolaria subsp. paniculata Dalbergia lanceolaria subsp. paniculata Medicinal Plant
BXGF01989 Helipterum roseum Helipterum roseum Others
BXGF02037 Carduus tenuiflorus Carduus tenuiflorus Others
BXGF02050 Hedysarum connatum Hedysarum connatum Others
BXGF02088 Zanthoxylum tetraspermum Zanthoxylum tetraspermum Medicinal Plant
BXGF02125 Artemisia assoana Artemisia assoana Others
BXGF02183 Dumortiera hirsuta Dumortiera hirsuta Medicinal Plant
BXGF02203 Verbascum thapsiforme Verbascum thapsiforme Medicinal Plant
BXGF02246 Lepisorus ussuriensis Lepisorus ussuriensis Medicinal Plant
BXGF02289 Rhododendron dahuricum Rhododendron dahuricum Others
BXGF02294 Bartramia pomiformis Bartramia pomiformis Medicinal Plant
BXGF02295 Alstonia spathulata Alstonia spathulata Others
BXGF02326 Phoebe pittieri Phoebe pittieri Others
BXGF02361 Hypericum laricifolium Hypericum laricifolium Medicinal Plant
BXGF02387 Salvia greggii Salvia greggii Medicinal Plant
BXGF02410 Adiantum lunulatum Adiantum lunulatum Medicinal Plant
BXGF02460 Peltostigma guatemalense Peltostigma guatemalense Others
BXGF02491 Acacia adunca Acacia adunca Others
BXGF02503 Balanophora laxiflora Balanophora laxiflora Others
BXGF02515 Viguiera incana Viguiera incana Others
BXGF02529 Astragalus sempervirens Astragalus sempervirens Others
BXGF02554 Marrubium anisodon Marrubium anisodon Medicinal Plant
BXGF02576 Anaphalis lactea Anaphalis lactea Others
BXGF02593 Wikstroemia retusa Wikstroemia retusa Others
BXGF02606 Naucleopsis ternstroemiiflora Naucleopsis ternstroemiiflora Others
BXGF02632 Metrodorea nigra Metrodorea nigra Others
BXGF02763 Iryanthera coriacea Iryanthera coriacea Others
BXGF02814 Senecio praecox Senecio praecox Others
BXGF02853 Anchusa azurea Anchusa azurea Medicinal Plant
BXGF02880 Nepeta granatensis Nepeta granatensis Others
BXGF02900 Gleichenia quadripartita Gleichenia quadripartita Others
BXGF02932 Dipsacus azureus Dipsacus azureus Others
BXGF02958 Jacquemontia paniculata Jacquemontia paniculata Others
BXGF02989 Turpinia ternata Turpinia ternata Medicinal Plant
BXGF02993 Caulerpa peltata Caulerpa peltata Human Edible Plant
BXGF03028 Lespedeza tomentosa Lespedeza tomentosa Medicinal Plant
BXGF03042 Rosa pomifera Rosa pomifera Human Edible Plant
BXGF03064 Degenia velebitica Degenia velebitica Others
BXGF03077 Albizia myriophylla Albizia myriophylla Medicinal Plant
BXGF03088 Erythrophleum ivorense Erythrophleum ivorense Medicinal Plant
BXGF03114 Delphinium virgatum Delphinium virgatum Others
BXGF03135 Grangea maderaspatana Grangea maderaspatana Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03167 Tagetes filifolia Tagetes filifolia Medicinal Plant
BXGF03217 Delphinium nuttallianum Delphinium nuttallianum Others
BXGF03230 Ehretia dicksonii Ehretia dicksonii Medicinal Plant
BXGF03251 Lupinus corymbosus Lupinus corymbosus Others
BXGF03298 Senecio behnii Senecio behnii Others
BXGF03317 Dillenia indica Dillenia indica Medicinal Plant
BXGF03436 Photinia serratifolia Photinia serratifolia Medicinal Plant
BXGF03512 Helichrysum chionosphaerum Helichrysum chionosphaerum Medicinal Plant
BXGF03947 Rumex maritimus Rumex maritimus Medicinal Plant
BXGF03965 Orostachys japonicus Orostachys japonicus Others
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04079 Senna siamea Senna siamea Medicinal Plant
BXGF04094 Virola multinervia Virola multinervia Medicinal Plant
BXGF04200 Euphorbia hirta Euphorbia hirta Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
BXGF04229 Petunia integrifolia subsp. inflata Petunia integrifolia subsp. inflata Others
BXGF04315 Orostachys fimbriata Orostachys fimbriata Others
BXGF04340 Quercus rubra Quercus rubra Medicinal Plant
BXGF04361 Cynomorium songaricum Cynomorium songaricum Medicinal Plant
BXGF04481 Rubia oncotricha Rubia oncotricha Medicinal Plant
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF04556 Xyris pterygoblephara Xyris pterygoblephara Others
BXGF04576 Boronia coerulescens Boronia coerulescens Others
BXGF04589 Ilex purpurea Ilex purpurea Others
BXGF04637 Acanthophyllum elatius Acanthophyllum elatius Others
BXGF04987 Honorius nutans Honorius nutans Others
BXGF05005 Cinnamomum cassia Cinnamomum cassia Medicinal Plant
BXGF05015 Balanophora involucrata Balanophora involucrata Medicinal Plant
BXGF05094 Lupinus verbasciformis Lupinus verbasciformis Others
BXGF05187 Calostephane divaricata Calostephane divaricata Others
BXGF05244 Elephantopus mollis Elephantopus mollis Medicinal Plant
BXGF05295 Gomortega keule Gomortega keule Human Edible Plant
BXGF05517 Quercus robur Quercus robur Medicinal Plant
BXGF05600 Aframomum amaniense Aframomum amaniense Others
BXGF05714 Khaya senegalensis Khaya senegalensis Medicinal Plant
BXGF05742 Caragana aurantiaca Caragana aurantiaca Others
BXGF05776 Picea mariana Picea mariana Medicinal Plant
BXGF05790 Glycyrrhiza uralensis Glycyrrhiza uralensis Medicinal Plant
BXGF05795 Nama hispidum Nama hispidum Others
BXGF05828 Viguiera oblongifolia Viguiera oblongifolia Others
BXGF05862 Premna odorata Premna odorata Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
BXGF05900 Beilschmiedia anacardioides Beilschmiedia anacardioides Medicinal Plant
BXGF06034 Viburnum urceolatum Viburnum urceolatum Others
BXGF06037 Cotyledon secunda Cotyledon secunda Others
BXGF06088 Euryops algoensis Euryops algoensis Others
BXGF06096 Artemisia schimperi Artemisia schimperi Others
BXGF06227 Rauvolfia vomitoria Rauvolfia vomitoria Medicinal Plant
BXGF06237 Gnetum latifolium Gnetum latifolium Medicinal Plant
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