| BioID | bio1891 |
|---|
| Name | DESLANOSIDE |
|---|
| ChEMBL ID | CHEMBL1614 |
|---|
| Molecular Formula | C47H74O19 |
|---|
| Molecular Weight | 943.09 |
|---|
| Molecular Weight (Monoisotopic) | 942.4824 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | CEDILANID-D|DEACETYLANATOSIDE C|DESACETYL-LANATOSIDE C|DESLANOSIDE|DESLANOSIDO|Deslanoside |
|---|
| Smiles | C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1 |
|---|
| Inchi | InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1 |
|---|
| Inchi Key | OBATZBGFDSVCJD-LALPQLPRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 37.0 |
|---|
| Bioactivities | 58.0 |
|---|
| Np Likeness Score | 2.19 |
|---|
| Records Key | ['DESLANOSIDE', 'Deslanoside', 'SID144205224', 'DESLANOSIDE', 'SID170465236', 'SID29215383', 'DESLANOSIDE', '200', 'Deslanoside', 'DESLANOSIDE', 'Deslanoside', 'Deslanoside', 'deslanoside'] |
|---|
| Records Name | ['DESLANOSIDE', 'Deslanoside', 'SID144205224', 'DESLANOSIDE', 'SID170465236', 'SID29215383', 'DESLANOSIDE', 'Lanatoside C', 'Deslanoside', 'DESLANOSIDE', 'Deslanoside', 'Deslanoside', 'deslanoside'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
