Showing entry for 1,2,3,4,6-Penta-O-Galloyl-D-Glucopyranose


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0014385
Compound Name1,2,3,4,6-Penta-O-Galloyl-D-Glucopyranose
Structure
FormulaC41H32O26
InchiKeyQJYNZEYHSMRWBK-HXSHIISNSA-N
SMILESO=C(c1cc(O)c(c(c1)O)O)O[C@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InchiInChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H
IUPAC[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight940.12
Pubchem Id9876301
Chembl IdCHEMBL206710
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 CHEMBL206710
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
P17706 BXGT008330 Tyrosine-protein phosphatase non-receptor type 2 reviewed - PTPN2 IC50 '=' 70 nM
P06213 BXGT006425 Insulin receptor reviewed Kinase INSR Activity - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4800 nM
P10586 BXGT007581 Receptor-type tyrosine-protein phosphatase F reviewed Enzyme PTPRF Inhibition - - -
Q06124 BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed - PTPN11 Inhibition - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02044 Chrysothamnus parryi Chrysothamnus parryi Others
BXGF04392 Artemisia carvifolia Artemisia carvifolia Others
BXGF04992 Cephalaria uralensis Cephalaria uralensis Others
BXGF05215 Geranium sylvaticum Geranium sylvaticum Others
BXGF05441 Haplophyllum ferganicum Haplophyllum ferganicum Others
BXGF05478 Callicarpa maingayi Callicarpa maingayi Others
BXGF05487 Crotalaria aegyptiaca Crotalaria aegyptiaca Others
BXGF05578 Aglaia laxiflora Aglaia laxiflora Human Edible Plant
BXGF05766 Dicoma capensis Dicoma capensis Medicinal Plant
BXGF05872 Digitalis isabelliana Digitalis isabelliana Others
BXGF05873 Scopolia hladnikiana Scopolia hladnikiana Others
BXGF06087 Sonchus ortunoi Sonchus ortunoi Others
BXGF06111 Pteris radiata Pteris radiata Others
BXGF06174 Styrax ferrugineus Styrax ferrugineus Medicinal Plant
BXGF06277 Vincetoxicum hirundinaria Vincetoxicum hirundinaria Medicinal Plant
BXGF06323 Euphorbia turczaninowii Euphorbia turczaninowii 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