Bioactive Compound Details

BioIDbio1095
NameMICRANDILACTONE C
ChEMBL IDCHEMBL1783809
Molecular FormulaC29H42O9
Molecular Weight534.65
Molecular Weight (Monoisotopic)534.2829
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMicrandilactone C
SmilesCC1=C[C@@H]([C@H](O)[C@H](C)[C@@H]2C[C@@H](O)[C@@]3(O)[C@@H]4CC[C@@H]5C(C)(C)O[C@@H]6CC(=O)O[C@@]56C[C@]4(O)CC[C@@]23C)OC1=O
InchiInChI=1S/C29H42O9/c1-14-10-17(36-24(14)33)23(32)15(2)16-11-20(30)29(35)19-7-6-18-25(3,4)37-21-12-22(31)38-28(18,21)13-27(19,34)9-8-26(16,29)5/h10,15-21,23,30,32,34-35H,6-9,11-13H2,1-5H3/t15-,16+,17+,18-,19-,20-,21-,23-,26+,27-,28+,29+/m1/s1
Inchi KeyLGYLRQGGJPTPQG-QIEHHWDISA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.41
Records Key['micrandilactone C']
Records Name['micrandilactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure