Bioactive Compound Details

BioIDbio235
NamePODOLACTONE C
ChEMBL IDCHEMBL465261
Molecular FormulaC20H24O8S
Molecular Weight424.47
Molecular Weight (Monoisotopic)424.1192
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPodolactone C
SmilesC[S+]([O-])C[C@@](C)(O)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13
InchiInChI=1S/C20H24O8S/c1-17-6-8-13(25-8)19(3)12(17)11(27-16(19)22)14-20(28-14)9(17)5-10(21)26-15(20)18(2,23)7-29(4)24/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11-,12+,13-,14+,15+,17+,18+,19+,20-,29?/m0/s1
Inchi KeySZWRHPLVENMBBZ-ITXOZLQKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.19
Records Key['17']
Records Name['podolactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure