Bioactive Compound Details
| BioID | bio1060 |
|---|---|
| Name | ASTERIIDOSIDE C |
| ChEMBL ID | CHEMBL506318 |
| Molecular Formula | C64H105NaO30S |
| Molecular Weight | 1409.57 |
| Molecular Weight (Monoisotopic) | 1386.649 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Asteriidoside C |
| Smiles | CC(C)=CCC[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]5O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[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](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4C)[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)C3=CC[C@@]21C.[Na+] |
| Inchi | InChI=1S/C64H106O30S.Na/c1-24(2)13-12-18-64(11,78)38-15-14-33-32-22-36(35-21-31(94-95(79,80)81)16-19-62(35,9)34(32)17-20-63(33,38)10)87-56-25(3)51(41(68)28(6)82-56)89-61-55(93-57-47(74)44(71)39(66)26(4)83-57)49(76)52(30(8)86-61)90-60-54(46(73)40(67)27(5)85-60)92-59-50(77)53(42(69)29(7)84-59)91-58-48(75)45(72)43(70)37(23-65)88-58;/h13,17,25-33,35-61,65-78H,12,14-16,18-23H2,1-11H3,(H,79,80,81);/q;+1/p-1/t25-,26-,27-,28-,29-,30-,31+,32+,33+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45+,46+,47-,48-,49+,50-,51-,52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,62-,63+,64+;/m1./s1 |
| Inchi Key | RPSNWNITURIFHX-JRRSLJCRSA-M |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['3'] |
| Records Name | ['asteriidoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
