Bioactive Compound Details

BioIDbio1502
NameBISGLAUCUMLIDE C
ChEMBL IDCHEMBL509764
Molecular FormulaC43H62O10
Molecular Weight738.96
Molecular Weight (Monoisotopic)738.4343
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBisglaucumlide C
SmilesCOC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3
InchiInChI=1S/C43H62O10/c1-24(2)30-21-34(45)27(5)13-11-12-25(3)19-35(46)33-20-28(6)31-22-39(52-29(7)44)42(9,50)38-16-17-41(8,49)37(53-38)15-14-26(4)18-32(31)43(33,23-36(30)47)40(48)51-10/h13,18-19,24,30,32-33,37-39,49-50H,11-12,14-17,20-23H2,1-10H3/b25-19-,26-18+,27-13+/t30-,32-,33+,37-,38+,39-,41+,42+,43-/m0/s1
Inchi KeyHEWUSQZLMQVZRO-DXURTGPESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.69
Records Key['3']
Records Name['bisglaucumlide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure