Bioactive Compound Details

BioIDbio1582
NameSACCHARUMOSIDE C
ChEMBL IDCHEMBL1923080
Molecular FormulaC19H26O13
Molecular Weight462.4
Molecular Weight (Monoisotopic)462.1373
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSaccharumoside C
SmilesCOC(=O)c1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InchiInChI=1S/C19H26O13/c1-28-16(26)9-4-8(2-3-10(9)21)31-17-14(24)13(23)12(22)11(32-17)5-29-18-15(25)19(27,6-20)7-30-18/h2-4,11-15,17-18,20-25,27H,5-7H2,1H3/t11-,12-,13+,14-,15+,17-,18-,19-/m1/s1
Inchi KeyNIVUGFISTDXAKA-XLBSEFGXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.96
Records Key['3, Saccharumoside C']
Records Name['5-[O-beta-D-apiofuranosyl-(1-6)-O-beta-D-glucopyranosyl]methyl gentisate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure