Bioactive Compound Details

BioIDbio1285
NameSANGGENON C
ChEMBL IDCHEMBL204813
Molecular FormulaC40H36O12
Molecular Weight708.72
Molecular Weight (Monoisotopic)708.2207
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSanggenon C
SmilesCC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12
InchiInChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
Inchi KeyXETHJOZXBVWLLM-HUKCQOFTSA-N
Molecular SpeciesNEUTRAL
Targets20.0
Bioactivities35.0
Np Likeness Score2.24
Records Key['8', '1', 'sanggenon C', '7', '5', 'Sanggenone C', '12', '7']
Records Name['sanggenon C', 'Sanggenon C', 'sanggenon C', 'sanggenon C', 'Sanggenon C', 'Sanggenone C', 'Sanggenon C', 'Sanggenon C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure