Bioactive Compound Details

BioIDbio205
NameEUPALINILIDE C
ChEMBL IDCHEMBL518078
Molecular FormulaC20H24O7
Molecular Weight376.41
Molecular Weight (Monoisotopic)376.1522
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEupalinilide C
SmilesC=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@H]4OC[C@@](O)(C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12)[C@@H]34
InchiInChI=1S/C20H24O7/c1-9(4-5-21)18(22)26-13-7-20(24)8-25-12-6-10(2)14(16(12)20)17-15(13)11(3)19(23)27-17/h4,6,12-17,21,24H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14+,15-,16-,17-,20+/m1/s1
Inchi KeyQWNQZWRFKIHTPL-NPUYJLKLSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.53
Records Key['3, Eupalinilide C']
Records Name[8beta-(4'-hydroxytigloyloxy)-2beta,14-epoxy-10alpha-hydroxy-1alpha-H,5alpha-H,6beta-H,7alpha-H-guai-3,11(13)-dien-6,12-olide"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure