Bioactive Compound Details
| BioID | bio1207 |
|---|---|
| Name | ILEKUDINOSIDE C |
| ChEMBL ID | CHEMBL501236 |
| Molecular Formula | C41H66O14 |
| Molecular Weight | 782.96 |
| Molecular Weight (Monoisotopic) | 782.4453 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Ilekudinoside C |
| Smiles | C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
| Inchi | InChI=1S/C41H66O14/c1-19-9-12-41(36(51)55-35-32(50)30(48)29(47)24(16-42)53-35)14-13-39(5)21(27(41)20(19)2)7-8-26-37(3)15-22(44)33(54-34-31(49)28(46)23(45)17-52-34)38(4,18-43)25(37)10-11-40(26,39)6/h7,19-20,22-35,42-50H,8-18H2,1-6H3/t19-,20+,22-,23+,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40-,41+/m1/s1 |
| Inchi Key | JEUZHXDEBVXESF-SMFLOBOHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.69 |
| Records Key | ['7, Ilekudinoside C'] |
| Records Name | ['3-O-alpha-L-arabinopyranosyl 2-alpha,23-dihydroxy ursolic acid 28-O-beta-D-glucopyranosyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
