Bioactive Compound Details
| BioID | bio77 |
|---|---|
| Name | BUNKANKASAPONIN C |
| ChEMBL ID | CHEMBL2058436 |
| Molecular Formula | C57H88O24 |
| Molecular Weight | 1157.31 |
| Molecular Weight (Monoisotopic) | 1156.5666 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bunkankasaponin C |
| Smiles | C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@]3(COC(C)=O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@H](C)[C@@H]1OC(C)=O |
| Inchi | InChI=1S/C57H88O24/c1-12-24(2)48(72)78-42-40(68)50(74-25(3)41(42)75-27(5)61)81-46-45(69)57(23-73-26(4)60)29(19-52(46,6)7)28-13-14-32-53(8)17-16-34(54(9,22-59)31(53)15-18-55(32,10)56(28,11)20-33(57)62)77-51-44(38(66)37(65)43(79-51)47(70)71)80-49-39(67)36(64)35(63)30(21-58)76-49/h12-13,25,29-46,49-51,58-59,62-69H,14-23H2,1-11H3,(H,70,71)/b24-12-/t25-,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40-,41+,42-,43+,44-,45+,46+,49+,50+,51-,53+,54-,55-,56-,57+/m1/s1 |
| Inchi Key | IVSFMFJFDSBDNT-AMINRDCGSA-N |
| Molecular Species | None |
| Targets | 9.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | None |
| Records Key | ['10'] |
| Records Name | ['bunkankasaponin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
