Bioactive Compound Details

BioIDbio1818
NameBRETSCHNEIDEROSIDE C
ChEMBL IDCHEMBL1223635
Molecular FormulaC19H28O12
Molecular Weight448.42
Molecular Weight (Monoisotopic)448.1581
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBretschneideroside C
SmilesCOc1cc(CO[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/C19H28O12/c1-27-11-4-9(2-3-10(11)21)5-28-17-15(24)14(23)13(22)12(31-17)6-29-18-16(25)19(26,7-20)8-30-18/h2-4,12-18,20-26H,5-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
Inchi KeyMFJAQXCOSBBPOT-OTCFHACESA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities8.0
Np Likeness Score2.15
Records Key['5']
Records Name['Bretschneideroside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure