Bioactive Compound Details

BioIDbio416
NameEUTIGOSIDE C
ChEMBL IDCHEMBL477903
Molecular FormulaC23H26O9
Molecular Weight446.45
Molecular Weight (Monoisotopic)446.1577
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEutigoside C
SmilesO=C1C=CC(O)(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)C=C1
InchiInChI=1S/C23H26O9/c24-16-8-10-23(29,11-9-16)12-13-30-22-21(28)20(27)19(26)17(32-22)14-31-18(25)7-6-15-4-2-1-3-5-15/h1-11,17,19-22,26-29H,12-14H2/b7-6+/t17-,19-,20+,21-,22-/m1/s1
Inchi KeyQOMDZDCUSAVCSJ-LPIGZASCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.9
Records Key['3, Eutigoside C']
Records Name[6'-O-cinnamoyl-1'-O-{2-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)ethyl}-beta-D-glucopyranoside"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure