Bioactive Compound Details
| BioID | bio1714 |
|---|---|
| Name | STELLATOSIDE C |
| ChEMBL ID | CHEMBL2047214 |
| Molecular Formula | C48H76O18 |
| Molecular Weight | 941.12 |
| Molecular Weight (Monoisotopic) | 940.5032 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | stellatoside 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]7[C@H](C(C)(C)O)[C@@H]8C[C@@]7(CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)C(=O)O8)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C48H76O18/c1-19-28(49)30(51)32(53)39(60-19)64-35-34(55)36(38(56)57)65-41(37(35)66-40-33(54)31(52)29(50)20(2)61-40)63-25-13-14-45(7)23(43(25,3)4)12-15-47(9)24(45)11-10-21-26-27(44(5,6)59)22-18-48(26,42(58)62-22)17-16-46(21,47)8/h19-37,39-41,49-55,59H,10-18H2,1-9H3,(H,56,57)/t19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,39-,40-,41+,45-,46+,47+,48+/m0/s1 |
| Inchi Key | ICJBPRUJVYMYLV-SFGODBEGSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.07 |
| Records Key | ['8'] |
| Records Name | ['stellatoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
