Bioactive Compound Details

BioIDbio1525
NamePHARBOSIDE C
ChEMBL IDCHEMBL538681
Molecular FormulaC27H44O11
Molecular Weight544.64
Molecular Weight (Monoisotopic)544.2884
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPharboside C
SmilesCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C[C@@]4(CO)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]21
InchiInChI=1S/C27H44O11/c1-24-7-4-8-25(2,23(35)36-3)20(24)19(33)21(34)26-9-13(5-6-15(24)26)27(11-26,12-29)38-22-18(32)17(31)16(30)14(10-28)37-22/h13-22,28-34H,4-12H2,1-3H3/t13-,14+,15-,16+,17-,18+,19-,20-,21-,22-,24-,25+,26+,27-/m0/s1
Inchi KeyJVEVLHMSSSKCCH-MJVJZXHHSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.85
Records Key['3']
Records Name['pharboside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure