Bioactive Compound Details

BioIDbio1593
NameLETHEDOSIDE C
ChEMBL IDCHEMBL455082
Molecular FormulaC24H26O12
Molecular Weight506.46
Molecular Weight (Monoisotopic)506.1424
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLethedoside C
SmilesCOc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3cc(O)c(OC)c(OC)c3)oc2c1
InchiInChI=1S/C24H26O12/c1-31-11-6-15-19(16(7-11)35-24-22(30)21(29)20(28)18(9-25)36-24)12(26)8-14(34-15)10-4-13(27)23(33-3)17(5-10)32-2/h4-8,18,20-22,24-25,27-30H,9H2,1-3H3/t18-,20-,21+,22-,24-/m1/s1
Inchi KeyWGZGLIQYUYIVRX-BKSKZGTRSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.82
Records Key['3, Lethedoside C']
Records Name[5-O-beta-D-glucopyranosyl-7,3',4'-tri-O-methyltricetin"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure