Bioactive Compound Details

BioIDbio1547
NamePLAKINIC ACID C
ChEMBL IDCHEMBL478344
Molecular FormulaC26H38O4
Molecular Weight414.59
Molecular Weight (Monoisotopic)414.277
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPlakinic Acid C
SmilesCC(CCCC/C=C/CC/C=C\c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1
InchiInChI=1S/C26H38O4/c1-22(19-25(2)21-26(3,30-29-25)20-24(27)28)15-11-8-6-4-5-7-9-12-16-23-17-13-10-14-18-23/h4-5,10,12-14,16-18,22H,6-9,11,15,19-21H2,1-3H3,(H,27,28)/b5-4+,16-12-/t22?,25-,26-/m1/s1
Inchi KeyCRORVGKIBBBYNQ-MZPDTDKDSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities3.0
Np Likeness Score1.88
Records Key['7']
Records Name['Plakinic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure