Bioactive Compound Details

BioIDbio1147
NameIEODOMYCIN C
ChEMBL IDCHEMBL1814287
Molecular FormulaC12H20O4
Molecular Weight228.29
Molecular Weight (Monoisotopic)228.1362
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIeodomycin C
SmilesC[C@@H](O)CCC/C=C/C=C/[C@@H](O)CC(=O)O
InchiInChI=1S/C12H20O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h2,4,6,8,10-11,13-14H,3,5,7,9H2,1H3,(H,15,16)/b4-2+,8-6+/t10-,11-/m1/s1
Inchi KeyLWHVEMXRYKVHKX-HKSGNEMOSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities3.0
Np Likeness Score2.45
Records Key['3, Ieodomycin C']
Records Name['(3S,4E,6E,11R)-3,11-dihydroxydodeca-4,6-dienoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure