Bioactive Compound Details

BioIDbio1313
NameCUMINGIANOSIDE C
ChEMBL IDCHEMBL503335
Molecular FormulaC41H68O12
Molecular Weight752.98
Molecular Weight (Monoisotopic)752.4711
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCumingianoside C
SmilesCOC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@]13C
InchiInChI=1S/C41H68O12/c1-21(17-25(44)34(48)37(6,7)49-10)24-11-16-41-20-40(24,41)15-12-27-38(8)14-13-29(51-23(3)43)36(4,5)28(38)18-30(39(27,41)9)53-35-33(47)32(46)31(45)26(52-35)19-50-22(2)42/h21,24-35,44-48H,11-20H2,1-10H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32-,33+,34-,35-,38+,39-,40+,41+/m0/s1
Inchi KeyTZKXHZFZNDJTCA-DHCGTJORSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities15.0
Np Likeness Score2.97
Records Key['2', '3']
Records Name['cumingianoside C', 'cumingianoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure