Bioactive Compound Details

BioIDbio611
NameREHMAGLUTOSIDE C
ChEMBL IDCHEMBL2177298
Molecular FormulaC30H42O17
Molecular Weight674.65
Molecular Weight (Monoisotopic)674.2422
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRehmaglutoside C
SmilesCOc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)cc(OC)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InchiInChI=1S/C30H42O17/c1-11-19(32)21(34)23(36)28(43-11)46-25-14(40-3)7-12(8-15(25)41-4)26(38)44-16-9-30(2,39)18-13(16)5-6-42-27(18)47-29-24(37)22(35)20(33)17(10-31)45-29/h5-8,11,13,16-24,27-29,31-37,39H,9-10H2,1-4H3/t11-,13-,16+,17+,18+,19-,20+,21+,22-,23+,24+,27-,28-,29-,30-/m0/s1
Inchi KeyKCPUTZOAXAJLIB-WJTAVRCFSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score2.19
Records Key['3']
Records Name['Rehmaglutoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure