Bioactive Compound Details

BioIDbio702
NamePLANTAGINEOSIDE C
ChEMBL IDCHEMBL2159607
Molecular FormulaC25H32O11
Molecular Weight508.52
Molecular Weight (Monoisotopic)508.1945
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsplantagineoside C
SmilesOC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@H](c3ccc(O)c(O)c3)C2)[C@H](O)[C@@H](O)[C@@H]1O
InchiInChI=1S/C25H32O11/c26-11-21-22(31)23(32)24(33)25(36-21)35-15-9-14(4-1-12-2-5-16(27)18(29)7-12)34-20(10-15)13-3-6-17(28)19(30)8-13/h2-3,5-8,14-15,20-33H,1,4,9-11H2/t14-,15+,20-,21+,22+,23-,24+,25+/m0/s1
Inchi KeyKNGLPVKCHBEQMT-AHVKKWOPSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities9.0
Np Likeness Score1.89
Records Key['3, plantagineoside C']
Records Name['1,5-epoxy-3-hydroxy-1-(3,4-dihydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptane3-O-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure