Bioactive Compound Details
| BioID | bio1149 |
|---|---|
| Name | Desmettianoside C |
| ChEMBL ID | CHEMBL2296501 |
| Molecular Formula | C56H92O27 |
| Molecular Weight | 1197.32 |
| Molecular Weight (Monoisotopic) | 1196.5826 |
| Type | Unknown |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-44(71)41(68)45(33(18-60)78-50)79-53-48(46(38(65)32(17-59)77-53)80-51-43(70)39(66)36(63)30(15-57)75-51)82-52-47(40(67)37(64)31(16-58)76-52)81-49-42(69)35(62)28(61)20-72-49/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,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-/m1/s1 |
| Inchi Key | OZCYOSGTIIBOMU-BMPRDKEPSA-N |
| Molecular Species | None |
| Targets | 4.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | None |
| Records Key | ['4, Desmettianoside C'] |
| Records Name | ['(25R)-3beta-hydroxy-5alpha-spirostan-3-O-beta-D-xylopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
