Bioactive Compound Details

BioIDbio1328
Namestolonoxide C
ChEMBL IDCHEMBL515971
Molecular FormulaC26H41NaO5
Molecular Weight456.6
Molecular Weight (Monoisotopic)434.3032
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsstolonoxide C
SmilesC=CCC/C=C\C=C/CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)[O-])OO2)O1.[Na+]
InchiInChI=1S/C26H42O5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-24(29-22)25-20-18-23(30-31-25)21-26(27)28;/h2,5-8,22-25H,1,3-4,9-21H2,(H,27,28);/q;+1/p-1/b6-5-,8-7-;/t22-,23-,24+,25-;/m0./s1
Inchi KeyJWSLGBYROIEXKZ-HUKYOYRRSA-M
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score1.96
Records Key['105']
Records Name['stolonoxide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure