Bioactive Compound Details

BioIDbio1153
NameSIKOKIANIN C
ChEMBL IDCHEMBL1172216
Molecular FormulaC31H24O10
Molecular Weight556.52
Molecular Weight (Monoisotopic)556.1369
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSikokianin C
SmilesCOc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1
InchiInChI=1S/C31H24O10/c1-39-19-8-4-15(5-9-19)31-27(29(38)25-21(36)11-18(34)13-23(25)41-31)26-28(37)24-20(35)10-17(33)12-22(24)40-30(26)14-2-6-16(32)7-3-14/h2-13,26-27,30-36H,1H3/t26-,27-,30+,31+/m0/s1
Inchi KeyQOPUSVUZHPIYER-TUXGATLDSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities29.0
Np Likeness Score0.89
Records Key['sikokianin C', '170', 'Sikokianin C', 'Sikokianin C']
Records Name['sikokianin C', 'Sikokianin C', 'Sikokianin C', 'Sikokianin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure