Bioactive Compound Details

BioIDbio1464
NameMELLEOLIDE C
ChEMBL IDCHEMBL1078571
Molecular FormulaC24H32O8
Molecular Weight448.51
Molecular Weight (Monoisotopic)448.2097
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMelleolide C
SmilesCOc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)c(O)c1
InchiInChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
Inchi KeyXXMVVKDVYBWXPQ-QSNWBFGMSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.56
Records Key['3']
Records Name['melleolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure