Bioactive Compound Details

BioIDbio1449
NameLONIJAPOSIDE C
ChEMBL IDCHEMBL515693
Molecular FormulaC24H29NO12
Molecular Weight523.49
Molecular Weight (Monoisotopic)523.169
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLonijaposide C
SmilesC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](CCO)c1
InchiInChI=1S/C24H29NO12/c1-2-14-15(4-3-12-7-13(21(31)32)9-25(8-12)5-6-26)16(22(33)34)11-35-23(14)37-24-20(30)19(29)18(28)17(10-27)36-24/h2-4,7-9,11,14-15,17-20,23-24,26-30H,1,5-6,10H2,(H-,31,32,33,34)/b4-3+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1
Inchi KeyDXFHNEGQVDLRDO-KBCYOOEFSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.39
Records Key['3']
Records Name['Lonijaposide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure