Bioactive Compound Details

BioIDbio635
NameGINNALIN C
ChEMBL IDCHEMBL1933681
Molecular FormulaC13H16O9
Molecular Weight316.26
Molecular Weight (Monoisotopic)316.0794
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGinnalin C
SmilesO=C(O[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InchiInChI=1S/C13H16O9/c14-3-8-11(18)12(19)9(4-21-8)22-13(20)5-1-6(15)10(17)7(16)2-5/h1-2,8-9,11-12,14-19H,3-4H2/t8-,9+,11-,12-/m1/s1
Inchi KeyJSUKXSPCKOKNJD-RBLKWDMZSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score1.84
Records Key['4', '2']
Records Name['Ginnalin C', 'Ginnalin C; 2-O-galloyl-1,5-anhydro-D-glucitol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure