Bioactive Compound Details

BioIDbio783
NameFILIASPAROSIDE C
ChEMBL IDCHEMBL251480
Molecular FormulaC44H72O15
Molecular Weight841.05
Molecular Weight (Monoisotopic)840.4871
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsfiliasparoside C
SmilesC[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7C[C@H](O)[C@@H](O)[C@H](C)O7)[C@H](O)[C@H]6O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InchiInChI=1S/C44H72O15/c1-20-8-13-44(53-18-20)21(2)33-30(59-44)15-27-25-7-6-23-14-24(9-11-42(23,4)26(25)10-12-43(27,33)5)55-41-39(58-40-36(50)35(49)29(47)19-52-40)37(51)38(31(17-45)56-41)57-32-16-28(46)34(48)22(3)54-32/h20-41,45-51H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+/m0/s1
Inchi KeyFRNFDPWFRZTRKH-AOXZOSFBSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.63
Records Key['3, filiasparoside C']
Records Name['(25S)-5-beta-spirostan-3-beta-hydroxy-3-O-beta-xylopyranosyl(1->2)-[alpha-rhamnopyranosyl(1->4)]-beta-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure