Showing entry for Ilekudinoside B


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050416
Compound NameIlekudinoside B
Structure
FormulaC42H66O15
InchiKeyHCFFYRGPTPKLPK-IWTZTSGBSA-N
SMILESOC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@H]([C@@]([C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H](C2(C)C)O[C@H]2O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]2O)O)O)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t
IUPAC(2R,3R,4R,5S,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,
Molecular Weight810.44
Pubchem Id44566330
Chembl IdCHEMBL488832
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 CHEMBL488832
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
P35610 BXGT009855 Sterol O-acyltransferase 1 reviewed Enzyme SOAT1 Inhibition '=' 12 %
P35610 BXGT009855 Sterol O-acyltransferase 1 reviewed Enzyme SOAT1 Inhibition - - -
P35610 BXGT009855 Sterol O-acyltransferase 1 reviewed Enzyme SOAT1 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03091 Ilex kaushue Ilex kaushue Human Edible 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