Bioactive Compound Details

BioIDbio1595
NameSINULAROLIDE C
ChEMBL IDCHEMBL513426
Molecular FormulaC20H28O5
Molecular Weight348.44
Molecular Weight (Monoisotopic)348.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSinularolide C
SmilesC=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(CO)CC/C=C(\C)CC/C=C(\C)[C@@H]2O
InchiInChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16-,17+,18-,20+/m1/s1
Inchi KeyMULWDJOXRRXULO-XJFSRSTNSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score3.63
Records Key['2', '3']
Records Name['sinularolide C', 'sinularolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure