Bioactive Compound Details

BioIDbio1678
NameMALAYENOLIDE C
ChEMBL IDCHEMBL507602
Molecular FormulaC27H36O6
Molecular Weight456.58
Molecular Weight (Monoisotopic)456.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMalayenolide C
SmilesCC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)C=C(C)C)[C@@]12C
InchiInChI=1S/C27H36O6/c1-15(2)12-25(29)33-24-10-8-16(3)13-22-20(18(5)26(30)32-22)14-21-17(4)9-11-23(27(21,24)7)31-19(6)28/h9,12-13,21-24H,8,10-11,14H2,1-7H3/b16-13-/t21-,22-,23-,24-,27+/m0/s1
Inchi KeyPMDGLGKJUXVHAB-GRNWIHRISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.17
Records Key['3']
Records Name['Malayenolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure