Bioactive Compound Details

BioIDbio693
NamePETROFORMYNIC ACID C
ChEMBL IDCHEMBL268837
Molecular FormulaC47H70O4
Molecular Weight699.07
Molecular Weight (Monoisotopic)698.5274
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPetroformynic Acid C
SmilesC#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCCCCCC#CC(=O)O
InchiInChI=1S/C47H70O4/c1-2-45(48)41-37-33-29-27-28-31-35-39-43-46(49)42-38-34-30-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-32-36-40-44-47(50)51/h1,7,9,19,21,30,34,37,41,45-46,48-49H,3-6,8,10-18,20,22-29,31-33,35-36H2,(H,50,51)/b9-7-,21-19-,34-30+,41-37+/t45-,46-/m1/s1
Inchi KeyBQLNMCQNOASKKE-SZBZILBQSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.52
Records Key['4']
Records Name['petroformynic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure