Bioactive Compound Details
| BioID | bio1220 |
|---|---|
| Name | ASTEROSIDE C |
| ChEMBL ID | CHEMBL526910 |
| Molecular Formula | C57H93NaO28S |
| Molecular Weight | 1281.4 |
| Molecular Weight (Monoisotopic) | 1258.5652 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Asteroside C |
| Smiles | CC(C)[C@@H](C)C(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)C3=CC[C@@]21C.[Na+] |
| Inchi | InChI=1S/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23+,24-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50-,51+,52+,53+,54+,55-,56+,57-;/m1./s1 |
| Inchi Key | XXJQXGJSOAYJEV-SSSGPGBUSA-M |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | None |
| Records Key | ['1'] |
| Records Name | ['asteroside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
