Bioactive Compound Details

BioIDbio287
NameCOSMOSPORASIDE C
ChEMBL IDCHEMBL1813876
Molecular FormulaC34H60O15
Molecular Weight708.84
Molecular Weight (Monoisotopic)708.3932
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCosmosporaside C
SmilesCC(=O)O[C@@H](C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@](C)(O)CCC=C(C)C)/C(C)=C/CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)COCC=C(C)C
InchiInChI=1S/C34H60O15/c1-19(2)9-8-12-34(7,44)27(49-33-31(43)30(42)29(41)26(17-36)48-33)15-25(47-22(6)37)21(5)11-14-46-32(28(40)23(38)16-35)24(39)18-45-13-10-20(3)4/h9-11,23-33,35-36,38-44H,8,12-18H2,1-7H3/b21-11+/t23-,24-,25+,26-,27+,28-,29-,30+,31+,32-,33+,34-/m1/s1
Inchi KeyUOOFXJVJPNMEGM-YUIMFRBKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.15
Records Key['3']
Records Name['Cosmosporaside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure