Bioactive Compound Details

BioIDbio313
NameLALIBINONE C
ChEMBL IDCHEMBL482231
Molecular FormulaC22H30O4
Molecular Weight358.48
Molecular Weight (Monoisotopic)358.2144
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLalibinone C
SmilesC=C(C)[C@@H]1CC23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)C(C)CC)=C3O
InchiInChI=1S/C22H30O4/c1-8-12(4)16(23)15-17(24)21(7)10-14-20(5,6)13(11(2)3)9-22(14,18(15)25)19(21)26/h12-14,25H,2,8-10H2,1,3-7H3/t12?,13-,14-,21-,22?/m0/s1
Inchi KeyTZUMPSGMPXZTHQ-KMGGUHKOSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities3.0
Np Likeness Score2.45
Records Key['3/3a, (keto-enol-tautomers)']
Records Name['lalibinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure