Bioactive Compound Details

BioIDbio359
NamePLAGIONICIN C
ChEMBL IDCHEMBL454758
Molecular FormulaC35H64O8
Molecular Weight612.89
Molecular Weight (Monoisotopic)612.4601
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPlagionicin C
SmilesCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCC(O)CCCCCC(O)C(O)CC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-20-30(38)33-22-23-34(43-33)31(39)21-16-18-28(36)17-13-12-15-19-29(37)32(40)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28?,29?,30+,31-,32?,33+,34-/m0/s1
Inchi KeyMFTGRNYZFKLFOT-FGDAHWEPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.84
Records Key['3']
Records Name['plagionicin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure