Bioactive Compound Details

BioIDbio955
NameIROMYCIN C
ChEMBL IDCHEMBL257864
Molecular FormulaC18H27NO2
Molecular Weight289.42
Molecular Weight (Monoisotopic)289.2042
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIromycin C
SmilesCC/C=C/C/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC
InchiInChI=1S/C18H27NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h7-8,11H,5-6,9-10,12H2,1-4H3,(H2,19,20,21)/b8-7+,13-11+
Inchi KeyCYTLCZVDDYEJPL-IGOCJVNJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.51
Records Key['9, Iromycin C']
Records Name['4-hydroxy-3-methyl-6-((2E,5E)-3-methylocta-2,5-dienyl)-5-propylpyridin-2(1H)-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure