Bioactive Compound Details

BioIDbio1514
NameNone
ChEMBL IDCHEMBL2333786
Molecular FormulaC33H48O3
Molecular Weight492.74
Molecular Weight (Monoisotopic)492.3603
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(-)-Petrosynoic Acid C
SmilesC#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCC/C=C\C#CC(=O)O
InchiInChI=1S/C33H48O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9,11,13-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+/t32-/m0/s1
Inchi KeyZMWNVWAZCHBCGO-FXZSKSRQSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities5.0
Np Likeness Score1.66
Records Key['3']
Records Name['(-)-petrosynoic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure