Showing entry for Reiniose F


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0022508
Compound NameReiniose F
Structure
FormulaC40H52O24
InchiKeyUTLKXLONBJLNEW-LENIYDPXSA-N
SMILESOC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]([C@H]2O)COC(=O)/C=C/c2cc(OC)c(c(c2)OC)O)O[C@]2(CO)O[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2cc(OC)c(c(c2)OC)O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C40H52O24/c1-54-19-9-17(10-20(55-2)28(19)46)5-7-26(44)58-15-25-31(49)36(62-38-34(52)33(51)30(48)23(13-41)59-38)35(53)39(60-25)64-40(16-43)37(32(50)24(14-42)63-40)61-27(45)8-6-18-11-21(56-3)29(47)22(12-18)57-4/h5-12,23-25,30-39,41-43,46-53H,13-16H
IUPAC[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-
Molecular Weight916.28
Pubchem Id10440817
Chembl IdCHEMBL4210558
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 CHEMBL4210558
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
P00338 BXGT005504 L-lactate dehydrogenase A chain reviewed Enzyme LDHA IC50 '=' 190700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01164 Polygala reinii Polygala reinii 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