Bioactive Compound Details

BioIDbio656
NameMACROCARPAL C
ChEMBL IDCHEMBL466994
Molecular FormulaC28H38O5
Molecular Weight454.61
Molecular Weight (Monoisotopic)454.2719
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMacrocarpal C
SmilesC=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C
InchiInChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
Inchi KeyIEWHEHWXBLPFER-HUCVFKCKSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities15.0
Np Likeness Score2.12
Records Key['3', 'Macrocarpal C']
Records Name['macrocarpal C', 'Macrocarpal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure