Bioactive Compound Details

BioIDbio1055
NameXESTOKEROL C
ChEMBL IDCHEMBL458918
Molecular FormulaC29H44O3
Molecular Weight440.67
Molecular Weight (Monoisotopic)440.329
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXestokerol C
SmilesC=C(C(=O)CC(C)C1CC1C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
InchiInChI=1S/C29H44O3/c1-16-12-22(16)17(2)13-26(31)18(3)23-8-9-24-21-7-6-19-14-20(30)10-11-28(19,4)25(21)15-27(32)29(23,24)5/h16-17,19,21-25,27,32H,3,6-15H2,1-2,4-5H3/t16?,17?,19-,21-,22?,23+,24-,25-,27+,28-,29+/m0/s1
Inchi KeyZBIUJNBNGDFYLA-VBXQZNRSSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.64
Records Key['3']
Records Name['Xestokerol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure