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General Compound Information
BXGC IdBXGC0034873
Compound Namen.a
Structure
FormulaC34H26O23
InchiKeyXFKDUNXJRVJLRK-GEFDNOIESA-N
SMILESO[C@@H]1[C@H]2COC(=O)c3cc(Oc4c(cc(c(c4O)O)O)C(=O)O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O
InchiInChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)9-5-15(54-28-10(30(48)49)4-14(38)21(41)26(28)46)22(42)25(45)18(9)17-8(33(52)56-29)3-13(37)20(40)24(17)44/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,3
IUPAC
Molecular Weight802.09
Pubchem Id46905124
Chembl IdCHEMBL1159468
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 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 CHEMBL1159468
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 IC50 '=' 20000 nM
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 IC50 '=' 20000 nM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH IC50 '=' 20000 nM
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE IC50 '=' 20000 nM
Q05513 BXGT012820 Protein kinase C zeta type reviewed Kinase PRKCZ IC50 '=' 20000 nM
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB IC50 '=' 20000 nM
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD IC50 '=' 20000 nM
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG IC50 '=' 20000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '=' 20000 nM
P41743 BXGT010270 Protein kinase C iota type reviewed Kinase PRKCI IC50 '=' 20000 nM
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 IC50 '=' 20000 nM
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00852 Triaenophora rupestris Triaenophora rupestris Others
BXGF00926 Larix cajanderi Larix cajanderi Others
BXGF01010 Sextonia rubra Sextonia rubra Others
BXGF01045 Dioscorea japonica Dioscorea japonica Medicinal Plant
BXGF01264 Cedrus libani Cedrus libani Medicinal Plant
BXGF01297 Justicia paniculata Justicia paniculata Medicinal Plant
BXGF01340 Khaya ivorensis Khaya ivorensis Medicinal Plant
BXGF01425 Craspidospermum verticillatum Craspidospermum verticillatum Others
BXGF01472 Cerinthe minor Cerinthe minor Others
BXGF01502 Ixeris stolonifera Ixeris stolonifera Medicinal Plant
BXGF01535 Cephalaria grossheimii Cephalaria grossheimii Others
BXGF01638 Lotus japonicus Lotus japonicus Others
BXGF01679 Melaleuca rhaphiophylla Melaleuca rhaphiophylla 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
BXGF03230 Ehretia dicksonii Ehretia dicksonii Medicinal Plant
BXGF04079 Senna siamea Senna siamea Medicinal Plant
BXGF04094 Virola multinervia Virola multinervia Medicinal Plant
BXGF05015 Balanophora involucrata Balanophora involucrata Medicinal Plant
BXGF05094 Lupinus verbasciformis Lupinus verbasciformis Others
BXGF05600 Aframomum amaniense Aframomum amaniense Others
BXGF05714 Khaya senegalensis Khaya senegalensis Medicinal Plant
BXGF05795 Nama hispidum Nama hispidum Others
BXGF05900 Beilschmiedia anacardioides Beilschmiedia anacardioides 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