Bioactive Compound Details

BioIDbio579
NameFORNICIN C
ChEMBL IDCHEMBL500701
Molecular FormulaC21H28O5
Molecular Weight360.45
Molecular Weight (Monoisotopic)360.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsfornicin C
SmilesCC(C)=CCC/C(C)=C/CCC(CC(=O)c1cc(O)ccc1O)C(=O)O
InchiInChI=1S/C21H28O5/c1-14(2)6-4-7-15(3)8-5-9-16(21(25)26)12-20(24)18-13-17(22)10-11-19(18)23/h6,8,10-11,13,16,22-23H,4-5,7,9,12H2,1-3H3,(H,25,26)/b15-8+
Inchi KeyPNXHXPQJFNVWQM-OVCLIPMQSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities7.0
Np Likeness Score1.81
Records Key['3, fornicin C', '6']
Records Name['2-(4,8-dimethyl-3,7-nonadienyl)-3-gentisoylpropanoic acid', 'Fornicin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure