Bioactive Compound Details

BioIDbio1388
NameCINNACASOLIDE C
ChEMBL IDCHEMBL2048806
Molecular FormulaC26H34O15
Molecular Weight586.54
Molecular Weight (Monoisotopic)586.1898
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCinnacasolide C
SmilesCOc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1Oc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
InchiInChI=1S/C26H34O15/c1-35-15-8-12(38-25-23(33)21(31)19(29)17(9-27)40-25)4-5-13(15)37-11-3-6-14(16(7-11)36-2)39-26-24(34)22(32)20(30)18(10-28)41-26/h3-8,17-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
Inchi KeyBRGMLXAIQVVQOP-PCIRLDFKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score0.85
Records Key['13, Cinnacasolide C']
Records Name[1-O,1'-didehydrobis[3,2'-dimethoxy phenyl beta-glucopyranoside]"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure