Bioactive Compound Details

BioIDbio1026
NamePLADIENOLIDE C
ChEMBL IDCHEMBL1242467
Molecular FormulaC30H48O8
Molecular Weight536.71
Molecular Weight (Monoisotopic)536.3349
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPladienolide C
SmilesCCC(=O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
InchiInChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-11,18,20-21,23,25-26,28-29,32,35H,8,12-17H2,1-7H3/b10-9+,19-11+/t18-,20+,21-,23-,25-,26+,28-,29-,30-/m1/s1
Inchi KeyVKZRXAOUJBHCJL-TXZJFZMISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score2.34
Records Key['pladienolide C']
Records Name['pladienolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure