Showing entry for Procyanidin C1


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009557
Compound NameProcyanidin C1
Structure
FormulaC45H38O18
InchiKeyMOJZMWJRUKIQGL-XILRTYJMSA-N
SMILES[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[C@@H]([C@H](O)[C@@]([H])(C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1
InchiInChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,
IUPAC(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight866.78
Pubchem Id169853
Chembl IdCHEMBL290632
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 50240460
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 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 - 53200 - -
reviewed BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 - 31400 - -
CHEMBL CHEMBL290632
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
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ Phorbol displacement '<=' 50 uM
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 Phorbol displacement '<=' 50 uM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH Phorbol displacement '<=' 50 uM
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE Phorbol displacement '<=' 50 uM
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB Phorbol displacement '<=' 50 uM
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD Phorbol displacement '<=' 50 uM
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG Phorbol displacement '<=' 50 uM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Phorbol displacement '<=' 50 uM
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 Phorbol displacement '<=' 50 uM
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 IC50 '=' 31400 nM
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 '=' 53200 nM
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Km '=' 8410 nM
Q72547 BXGT016709 Reverse transcriptase/RNaseH unreviewed - pol Inhibition '=' 18 %
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ IC50 '=' 40000 nM
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 IC50 '=' 40000 nM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH IC50 '=' 40000 nM
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE IC50 '=' 40000 nM
Q05513 BXGT012820 Protein kinase C zeta type reviewed Kinase PRKCZ IC50 '=' 40000 nM
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB IC50 '=' 40000 nM
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD IC50 '=' 40000 nM
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG IC50 '=' 40000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '=' 40000 nM
P41743 BXGT010270 Protein kinase C iota type reviewed Kinase PRKCI IC50 '=' 40000 nM
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 IC50 '=' 40000 nM
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Kcat '=' 6 /s
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Kcat/Km '=' 0 /uM/s
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
BXGF00014 Custard apple Annona reticulata Fruits
BXGF00038 Tea Camellia sinensis Teas
BXGF00045 Chestnut Castanea Nuts
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00051 Ceylon cinnamon Cinnamomum verum Herbs and Spices
BXGF00069 Quince Cydonia oblonga Fruits
BXGF00076 Loquat Eriobotrya japonica Fruits
BXGF00105 Apple Malus pumila Fruits
BXGF00114 Medlar Mespilus germanica Fruits
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00145 Sweet cherry Prunus avium Fruits
BXGF00147 European plum Prunus domestica Fruits
BXGF00152 Pear Pyrus communis Fruits
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00197 Broad bean Vicia faba Pulses
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00213 European cranberry Vaccinium oxycoccos Fruits
BXGF00223 Peach (var.) Prunus persica var. persica Fruits
BXGF00570 Grape wine Beverages
BXGF00641 Cocoa powder Cocoa and cocoa products
BXGF00642 Chocolate Cocoa and cocoa products
BXGF00899 Orthosphenia mexicana Orthosphenia mexicana Others
BXGF00931 Ipomoea digitata Ipomoea digitata Medicinal Plant
BXGF00933 Eupatorium gracile Eupatorium gracile Medicinal Plant
BXGF01034 Annona cornifolia Annona cornifolia Human Edible Plant
BXGF01174 Salvia syriaca Salvia syriaca Others
BXGF01204 Solanum laxum Solanum laxum Medicinal Plant
BXGF01283 Crataegus pinnatifida Crataegus pinnatifida Medicinal Plant
BXGF01452 Baccharis megapotamica Baccharis megapotamica Others
BXGF01456 Eucalyptus melliodora Eucalyptus melliodora Others
BXGF01548 Campylotropis hirtella Campylotropis hirtella Medicinal Plant
BXGF01555 Scutellaria amoena Scutellaria amoena Medicinal Plant
BXGF01614 Goniothalamus malayanus Goniothalamus malayanus Others
BXGF01646 Alstonia deplanchei Alstonia deplanchei Others
BXGF01753 Stevia mercedensis Stevia mercedensis Others
BXGF01834 Lysimachia mauritiana Lysimachia mauritiana Others
BXGF01861 Senecio latifolius Senecio latifolius Others
BXGF01883 Swertia franchetiana Swertia franchetiana Medicinal Plant
BXGF01926 Flemingia congesta Flemingia congesta Medicinal Plant
BXGF01950 Senecio rivularis Senecio rivularis Medicinal Plant
BXGF01972 Ficus simplicissima Ficus simplicissima Medicinal Plant
BXGF01989 Helipterum roseum Helipterum roseum Others
BXGF02050 Hedysarum connatum Hedysarum connatum Others
BXGF02063 Quercus dentata Quercus dentata Medicinal Plant
BXGF02088 Zanthoxylum tetraspermum Zanthoxylum tetraspermum Medicinal Plant
BXGF02114 Aconitum pseudohuiliense Aconitum pseudohuiliense Medicinal Plant
BXGF02125 Artemisia assoana Artemisia assoana Others
BXGF02178 Erigeron crispus Erigeron crispus Others
BXGF02183 Dumortiera hirsuta Dumortiera hirsuta Medicinal Plant
BXGF02229 Marrubium supinum Marrubium supinum Medicinal Plant
BXGF02246 Lepisorus ussuriensis Lepisorus ussuriensis Medicinal Plant
BXGF02260 Cacalia bicolor Cacalia bicolor Others
BXGF02279 Ceratozamia fuscoviridis Ceratozamia fuscoviridis Others
BXGF02292 Styrax perkinsiae Styrax perkinsiae Others
BXGF02295 Alstonia spathulata Alstonia spathulata Others
BXGF02326 Phoebe pittieri Phoebe pittieri Others
BXGF02339 Haplophyllum dauricum Haplophyllum dauricum Others
BXGF02360 Solanum elaeagnifolium Solanum elaeagnifolium Medicinal Plant
BXGF02361 Hypericum laricifolium Hypericum laricifolium Medicinal Plant
BXGF02410 Adiantum lunulatum Adiantum lunulatum Medicinal Plant
BXGF02430 Thuja standishii Thuja standishii Medicinal Plant
BXGF02460 Peltostigma guatemalense Peltostigma guatemalense Others
BXGF02491 Acacia adunca Acacia adunca Others
BXGF02515 Viguiera incana Viguiera incana Others
BXGF02529 Astragalus sempervirens Astragalus sempervirens Others
BXGF02554 Marrubium anisodon Marrubium anisodon Medicinal Plant
BXGF02593 Wikstroemia retusa Wikstroemia retusa Others
BXGF02606 Naucleopsis ternstroemiiflora Naucleopsis ternstroemiiflora Others
BXGF03168 Dioscorea cirrhosa Dioscorea cirrhosa Human Edible Plant
BXGF03352 Verbesina rupestris Verbesina rupestris Others
BXGF03839 Asteriscus graveolens Asteriscus graveolens Others
BXGF03947 Rumex maritimus Rumex maritimus Medicinal Plant
BXGF04062 Spatholobus suberectus Spatholobus suberectus Medicinal Plant
BXGF04123 Swinglea glutinosa Swinglea glutinosa Human Edible Plant
BXGF04194 Fagopyrum dibotrys Fagopyrum dibotrys Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
BXGF04239 Citrus glauca Citrus glauca Human Edible Plant
BXGF04831 Strychnos tabascana Strychnos tabascana Others
BXGF05005 Cinnamomum cassia Cinnamomum cassia Medicinal Plant
BXGF05187 Calostephane divaricata Calostephane divaricata Others
BXGF05278 Relhania pumila Relhania pumila Others
BXGF05312 Critonia quadrangularis Critonia quadrangularis Others
BXGF05529 Oxyanthus speciosus Oxyanthus speciosus Medicinal Plant
BXGF05702 Cinnamomum camphora Cinnamomum camphora Medicinal Plant
BXGF05742 Caragana aurantiaca Caragana aurantiaca Others
BXGF05854 Codium decorticatum Codium decorticatum Others
BXGF05862 Premna odorata Premna odorata Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
BXGF06037 Cotyledon secunda Cotyledon secunda Others
BXGF06154 Metalasia bolusii Metalasia bolusii Others
BXGF06173 Aconitum sachalinense Aconitum sachalinense Medicinal Plant
BXGF06227 Rauvolfia vomitoria Rauvolfia vomitoria Medicinal Plant
BXGF06237 Gnetum latifolium Gnetum latifolium Medicinal Plant
BXGF06292 Centrosema pascuorum Centrosema pascuorum 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