Bioactive Compound Details
| BioID | bio724 |
|---|---|
| Name | SAPINMUSAPONIN C |
| ChEMBL ID | CHEMBL504162 |
| Molecular Formula | C42H72O14 |
| Molecular Weight | 801.02 |
| Molecular Weight (Monoisotopic) | 800.4922 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sapinmusaponin C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]([C@](C)(O)C(O)/C=C/C(C)(C)O)CC[C@@]6(C)[C@]5(C)[C@@H](O)C[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C42H72O14/c1-20-29(46)31(48)33(50)35(53-20)56-34-32(49)30(47)23(19-43)54-36(34)55-28-14-16-39(6)24-11-10-21-22(42(9,52)26(44)13-15-37(2,3)51)12-17-40(21,7)41(24,8)27(45)18-25(39)38(28,4)5/h13,15,20-36,43-52H,10-12,14,16-19H2,1-9H3/b15-13+/t20-,21+,22-,23+,24+,25-,26?,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,39+,40+,41-,42-/m0/s1 |
| Inchi Key | GOJQRQRGOPNVNG-WHRMDDACSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.9 |
| Records Key | ['Sapinmusaponin C'] |
| Records Name | ['Sapinmusaponin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
