Bioactive Compound Details

BioIDbio1682
NameCAUCANOLIDE C
ChEMBL IDCHEMBL515815
Molecular FormulaC21H28O7
Molecular Weight392.45
Molecular Weight (Monoisotopic)392.1835
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCaucanolide C
SmilesCO[C@@]1([C@H]2[C@@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1
InchiInChI=1S/C21H28O7/c1-12(2)15(11-22)8-7-14-9-16(23)17(20(4,5)27-19(14)25)21(26-6)10-13(3)18(24)28-21/h9-11,16-17,23H,7-8H2,1-6H3/t16-,17-,21-/m0/s1
Inchi KeyDRGJVXACADCLMU-FIKGOQFSSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.03
Records Key['3']
Records Name['caucanolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure