Bioactive Compound Details

BioIDbio1737
NameLATIFOLOSIDE C
ChEMBL IDCHEMBL506924
Molecular FormulaC53H86O22
Molecular Weight1075.25
Molecular Weight (Monoisotopic)1074.5611
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLatifoloside C
SmilesC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7[C@H](O)C(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C53H86O22/c1-22-31(57)34(60)37(63)43(69-22)74-41-40(73-44-38(64)35(61)32(58)25(19-54)70-44)24(56)21-68-46(41)72-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-30-42(66)48(2,3)15-17-53(30,18-16-51(23,52)7)47(67)75-45-39(65)36(62)33(59)26(20-55)71-45/h9,22,24-46,54-66H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
Inchi KeyOWJMPCBRZTYZJR-MZRTYAAGSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities3.0
Np Likeness ScoreNone
Records Key['3']
Records Name['Latifoloside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure