Bioactive Compound Details
| BioID | bio432 |
|---|---|
| Name | BACOPASAPONSIN C |
| ChEMBL ID | CHEMBL225246 |
| Molecular Formula | C46H74O17 |
| Molecular Weight | 899.08 |
| Molecular Weight (Monoisotopic) | 898.4926 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bacopasaponsin C |
| Smiles | CC(C)=C[C@@H]1CO[C@]23C[C@@]4(CO2)[C@@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O |
| Inchi | InChI=1S/C46H74O17/c1-21(2)14-22-17-57-46-19-45(20-58-46)23(37(46)44(22,7)55)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)61-40-36(63-38-33(53)31(51)26(16-48)60-38)35(24(49)18-56-40)62-39-34(54)32(52)30(50)25(15-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-,40-,42+,43-,44+,45-,46-/m1/s1 |
| Inchi Key | ZOFQVMPJZHCDBS-IAYQANKQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.47 |
| Records Key | ['6'] |
| Records Name | ['bacopasaponsin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
