Showing entry for Epicoccolide B


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037070
Compound NameEpicoccolide B
Structure
FormulaC18H14O8
InchiKeyHTCVSLIHSFBUEL-UHFFFAOYSA-N
SMILESO=Cc1c(c2cc3c(o2)c(O)c(c(c3C=O)C)O)c(C)c(c(c1O)O)O
InchiInChI=1S/C18H14O8/c1-6-9(4-19)8-3-11(26-18(8)17(25)13(6)21)12-7(2)14(22)16(24)15(23)10(12)5-20/h3-5,21-25H,1-2H3
IUPAC2-(2-formyl-3,4,5-trihydroxy-6-methylphenyl)-6,7-dihydroxy-5-methyl-1-benzofuran-4-carbaldehyde
Molecular Weight358.07
Pubchem Id11210533
Chembl IdCHEMBL3104855
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 50445474
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 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 - 4070 - -
reviewed BXGT006723 Insulin-like growth factor 1 receptor reviewed Kinase IGF1R - 150 - -
reviewed BXGT012815 Focal adhesion kinase 1 reviewed Kinase PTK2 - 800 - -
reviewed BXGT019667 Aurora kinase B reviewed Kinase AURKB - 7290 - -
reviewed BXGT004867 NUAK family SNF1-like kinase 1 reviewed Kinase NUAK1 - 3770 - -
reviewed BXGT021773 ALK tyrosine kinase receptor reviewed Kinase ALK - 250 - -
reviewed BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 - 6900 - -
reviewed BXGT013631 Serine/threonine-protein kinase N1 reviewed Kinase PKN1 - 9000 - -
reviewed BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 - 6310 - -
reviewed BXGT020528 Serine/threonine-protein kinase Nek6 reviewed Kinase NEK6 - 1850 - -
reviewed BXGT010908 Serine/threonine-protein kinase Nek2 reviewed Kinase NEK2 - 3780 - -
reviewed BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET - 1120 - -
CHEMBL CHEMBL3104855
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
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 IC50 '=' 6310 nM
P30530 BXGT009431 Tyrosine-protein kinase receptor UFO reviewed Kinase AXL IC50 '=' 220 nM
Q96GD4 BXGT019667 Aurora kinase B reviewed Kinase AURKB IC50 '=' 7290 nM
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR IC50 '=' 390 nM
Q05397 BXGT012815 Focal adhesion kinase 1 reviewed Kinase PTK2 IC50 '=' 800 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 IC50 '=' 14200 nM
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 IC50 '=' 14200 nM
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 IC50 '=' 14200 nM
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 IC50 '=' 14200 nM
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 '=' 14200 nM
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 IC50 '=' 14200 nM
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 IC50 '=' 14200 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 '=' 14200 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 '=' 14200 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 '=' 14200 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 '=' 14200 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 490 nM
P11309 BXGT007685 Serine/threonine-protein kinase pim-1 reviewed Kinase PIM1 IC50 '=' 4440 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 '=' 8800 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 '=' 9100 nM
Q9HC98 BXGT020528 Serine/threonine-protein kinase Nek6 reviewed Kinase NEK6 IC50 '=' 1850 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 '=' 6500 nM
P08069 BXGT006723 Insulin-like growth factor 1 receptor reviewed Kinase IGF1R IC50 '=' 150 nM
O60285 BXGT004867 NUAK family SNF1-like kinase 1 reviewed Kinase NUAK1 IC50 '=' 3770 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 Inhibition - - -
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 Inhibition - - -
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 Inhibition - - -
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 Inhibition - - -
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 Inhibition - - -
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 Inhibition - - -
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 Inhibition - - -
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 Inhibition - - -
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Inhibition - - -
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 Inhibition - - -
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Inhibition - - -
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET IC50 '=' 1120 nM
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 IC50 '=' 4070 nM
P51955 BXGT010908 Serine/threonine-protein kinase Nek2 reviewed Kinase NEK2 IC50 '=' 3780 nM
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 IC50 '=' 12900 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 IC50 '=' 8100 nM
Q9UM73 BXGT021773 ALK tyrosine kinase receptor reviewed Kinase ALK IC50 '=' 250 nM
Q16512 BXGT013631 Serine/threonine-protein kinase N1 reviewed Kinase PKN1 IC50 '=' 9000 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 '=' 6900 nM
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 '=' 2100 nM
Q02750 BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 IC50 '>' 30000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00899 Orthosphenia mexicana Orthosphenia mexicana Others
BXGF00933 Eupatorium gracile Eupatorium gracile Medicinal Plant
BXGF01452 Baccharis megapotamica Baccharis megapotamica Others
BXGF01646 Alstonia deplanchei Alstonia deplanchei Others
BXGF01753 Stevia mercedensis Stevia mercedensis Others
BXGF01861 Senecio latifolius Senecio latifolius Others
BXGF01926 Flemingia congesta Flemingia congesta Medicinal Plant
BXGF01950 Senecio rivularis Senecio rivularis Medicinal Plant
BXGF01972 Ficus simplicissima Ficus simplicissima Medicinal Plant
BXGF02063 Quercus dentata Quercus dentata Medicinal Plant
BXGF02114 Aconitum pseudohuiliense Aconitum pseudohuiliense Medicinal Plant
BXGF02178 Erigeron crispus Erigeron crispus Others
BXGF02229 Marrubium supinum Marrubium supinum Medicinal Plant
BXGF02260 Cacalia bicolor Cacalia bicolor Others
BXGF02279 Ceratozamia fuscoviridis Ceratozamia fuscoviridis Others
BXGF02292 Styrax perkinsiae Styrax perkinsiae Others
BXGF02339 Haplophyllum dauricum Haplophyllum dauricum Others
BXGF02360 Solanum elaeagnifolium Solanum elaeagnifolium Medicinal Plant
BXGF02430 Thuja standishii Thuja standishii Medicinal Plant
BXGF03352 Verbesina rupestris Verbesina rupestris Others
BXGF03839 Asteriscus graveolens Asteriscus graveolens Others
BXGF04123 Swinglea glutinosa Swinglea glutinosa Human Edible Plant
BXGF04239 Citrus glauca Citrus glauca Human Edible Plant
BXGF04831 Strychnos tabascana Strychnos tabascana Others
BXGF05278 Relhania pumila Relhania pumila Others
BXGF05312 Critonia quadrangularis Critonia quadrangularis Others
BXGF05529 Oxyanthus speciosus Oxyanthus speciosus Medicinal Plant
BXGF05854 Codium decorticatum Codium decorticatum Others
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
BXGF06154 Metalasia bolusii Metalasia bolusii Others
BXGF06173 Aconitum sachalinense Aconitum sachalinense 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