Bioactive Compound Details

BioIDbio1808
NameSCABROLIDE C
ChEMBL IDCHEMBL518256
Molecular FormulaC20H26O6
Molecular Weight362.42
Molecular Weight (Monoisotopic)362.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsScabrolide C
SmilesC=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@@H](OC)C1
InchiInChI=1S/C20H26O6/c1-11(2)12-5-13(21)7-18-16(22)10-20(3,26-18)9-14-8-15(19(23)25-14)17(6-12)24-4/h8,12,14,17-18H,1,5-7,9-10H2,2-4H3/t12-,14+,17+,18+,20+/m1/s1
Inchi KeyZLDOSIVXLFPCIZ-YMPZZIEYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.08
Records Key['3']
Records Name['Scabrolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure