Bioactive Compound Details

BioIDbio238
NameCIMICIFUGIC ACID C
ChEMBL IDCHEMBL1095595
Molecular FormulaC20H18O10
Molecular Weight418.35
Molecular Weight (Monoisotopic)418.09
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCimicifugic Acid C
SmilesO=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O
InchiInChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1
Inchi KeyNIDSBIYSGNHVDL-ZUVWSUMTSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.36
Records Key['12']
Records Name['cimicifugic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure