Bioactive Compound Details

BioIDbio590
NameMADAGASCARENSILIDE C
ChEMBL IDCHEMBL1644521
Molecular FormulaC43H66O15
Molecular Weight822.99
Molecular Weight (Monoisotopic)822.4402
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMadagascarensilide C
SmilesCO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C=O)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1
InchiInChI=1S/C43H66O15/c1-22-37(47)31(50-5)17-35(53-22)58-39-24(3)55-36(18-32(39)51-6)57-38-23(2)54-34(16-30(38)45)56-26-7-12-41(21-44)28-8-11-40(4)27(25-15-33(46)52-20-25)10-14-43(40,49)29(28)9-13-42(41,48)19-26/h15,21-24,26-32,34-39,45,47-49H,7-14,16-20H2,1-6H3/t22-,23-,24-,26+,27-,28+,29-,30+,31-,32+,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1
Inchi KeyOKKMMWPTBZXHLN-QTRLOGHOSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.41
Records Key['3, Madagascarensilide C']
Records Name['strophanthidin 3-O-beta-diginopyranosyl-(1->4)-Obeta-cymaropyranosyl-(1->4)-O-beta-digitoxopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure