Showing entry for vescalagin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042191
Compound Namevescalagin
Structure
FormulaC41H26O26
InchiKeyUDYKDZHZAKSYCO-KCPYMCPDSA-N
SMILESO=C1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(O)c(c4c1c4C(=O)OC2[C@@H](O)c4c(c(c1O)O)O)O)cc(O)c(c3O)O)O)O
InchiInChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42
IUPAC
Molecular Weight934.07
Pubchem Id3002102
Chembl IdCHEMBL288949
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 CHEMBL288949
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
Q72547 BXGT016709 Reverse transcriptase/RNaseH unreviewed - pol Inhibition '=' 40 %
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ IC50 '=' 4000 nM
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 IC50 '=' 4000 nM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH IC50 '=' 4000 nM
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE IC50 '=' 4000 nM
Q05513 BXGT012820 Protein kinase C zeta type reviewed Kinase PRKCZ IC50 '=' 4000 nM
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB IC50 '=' 4000 nM
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD IC50 '=' 4000 nM
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG IC50 '=' 4000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '=' 4000 nM
P41743 BXGT010270 Protein kinase C iota type reviewed Kinase PRKCI IC50 '=' 4000 nM
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 IC50 '=' 4000 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
BXGF00305 Chinese chestnut Castanea mollissima Nuts
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