Bioactive Compound Details

BioIDbio1349
NameTINOSPOSINENSIDE C
ChEMBL IDCHEMBL251087
Molecular FormulaC26H36O12
Molecular Weight540.56
Molecular Weight (Monoisotopic)540.2207
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTinosposinenside C
SmilesCC(=O)O[C@@H]1[C@@H]2[C@H](CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@@]23C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1O
InchiInChI=1S/C26H36O12/c1-11(28)35-23-15(29)7-16(37-25-22(32)21(31)20(30)18(9-27)38-25)13-3-4-14-24(33)36-17(12-5-6-34-10-12)8-26(14,2)19(13)23/h5-6,10,13-23,25,27,29-32H,3-4,7-9H2,1-2H3/t13-,14+,15+,16-,17+,18-,19+,20-,21+,22-,23+,25-,26-/m1/s1
Inchi KeyWAJJNHUEVQGAOS-DPAXXLBTSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.09
Records Key['3']
Records Name['tinosposinenside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure