Bioactive Compound Details

BioIDbio117
NamePSEUDOLAROLIDE C
ChEMBL IDCHEMBL505034
Molecular FormulaC31H48O6
Molecular Weight516.72
Molecular Weight (Monoisotopic)516.3451
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPseudolarolide C
SmilesCOC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@H]4[C@H](C)C[C@]5(C[C@@H](C)C(=O)O5)O[C@@H]4C[C@@]1(C)[C@@H]3CC[C@H]2C(C)(C)O
InchiInChI=1S/C31H48O6/c1-18-14-31(15-19(2)25(33)37-31)36-20-16-28(6)22-9-8-21(26(3,4)34)29(11-10-23(32)35-7)17-30(22,29)13-12-27(28,5)24(18)20/h18-22,24,34H,8-17H2,1-7H3/t18-,19-,20-,21+,22+,24+,27-,28+,29-,30+,31+/m1/s1
Inchi KeyYBQWVVDWBNHYPN-SBKBIPNSSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.14
Records Key['3']
Records Name['pseudolarolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure