Bioactive Compound Details

BioIDbio349
NamePLAGIONEURIN C
ChEMBL IDCHEMBL451056
Molecular FormulaC39H68O8
Molecular Weight664.97
Molecular Weight (Monoisotopic)664.4914
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPlagioneurin C
SmilesCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CC(CCCCC(=O)CCCCCCCC2=C[C@H](C)OC2=O)OC(C)=O)O1
InchiInChI=1S/C39H68O8/c1-4-5-6-7-8-9-10-11-15-18-25-35(42)37-26-27-38(47-37)36(43)29-34(46-31(3)40)24-20-19-23-33(41)22-17-14-12-13-16-21-32-28-30(2)45-39(32)44/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34?,35+,36+,37+,38+/m0/s1
Inchi KeyIBZMIWHQUSQKBP-WFDUAHCHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.03
Records Key['7']
Records Name['plagioneurin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure