Bioactive Compound Details

BioIDbio534
NameSumadain C
ChEMBL IDCHEMBL562306
Molecular FormulaC25H26O4
Molecular Weight390.48
Molecular Weight (Monoisotopic)390.1831
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSumadain C
SmilesCC(C)[C@H]1C=C[C@]2(C)Oc3c(C(=O)/C=C/c4ccccc4)c(O)cc(O)c3C2C1
InchiInChI=1S/C25H26O4/c1-15(2)17-11-12-25(3)18(13-17)22-20(27)14-21(28)23(24(22)29-25)19(26)10-9-16-7-5-4-6-8-16/h4-12,14-15,17-18,27-28H,13H2,1-3H3/b10-9+/t17-,18?,25-/m0/s1
Inchi KeyXJODSYDWNGXKRJ-MPTVOMKASA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.72
Records Key['3']
Records Name['Sumadain C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure