Bioactive Compound Details
| BioID | bio985 |
|---|---|
| Name | SAIKOSAPONIN C |
| ChEMBL ID | CHEMBL1159427 |
| Molecular Formula | C48H78O17 |
| Molecular Weight | 927.14 |
| Molecular Weight (Monoisotopic) | 926.5239 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Saikosaponin C |
| Smiles | C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C=C[C@]46OC[C@@]7(CCC(C)(C)CC74)[C@@H](O)C[C@]65C)C3(C)C)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C48H78O17/c1-22-30(51)32(53)36(57)40(61-22)65-38-24(20-59-39-35(56)33(54)31(52)23(19-49)62-39)63-41(37(58)34(38)55)64-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-60-48)28(50)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25?,26?,27?,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38-,39+,40-,41-,44-,45+,46-,47+,48-/m0/s1 |
| Inchi Key | VJEMOEYSQDKAQF-AVBOOOJJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.72 |
| Records Key | ['9'] |
| Records Name | ['Saikosaponin c'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
