Bioactive Compound Details

BioIDbio1230
NameTERNSTROSIDE C
ChEMBL IDCHEMBL446760
Molecular FormulaC22H26O11
Molecular Weight466.44
Molecular Weight (Monoisotopic)466.1475
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTernstroside C
SmilesO=C(Cc1ccc(O)c(O)c1)O[C@@H]1[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@H]1O
InchiInChI=1S/C22H26O11/c23-10-17-19(29)21(33-18(28)9-12-2-4-14(25)16(27)8-12)20(30)22(32-17)31-6-5-11-1-3-13(24)15(26)7-11/h1-4,7-8,17,19-27,29-30H,5-6,9-10H2/t17-,19-,20-,21+,22-/m1/s1
Inchi KeyFLSBWXVHDVCNEZ-OHLDOZIISA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score1.5
Records Key['3, Ternstroside C']
Records Name['3-(3,4-dihydroxyphenyl)ethyl 2-O-(4-hydroxyphenylethanoyl)-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure