Bioactive Compound Details
| BioID | bio1297 |
|---|---|
| Name | PERVICOSIDE C |
| ChEMBL ID | CHEMBL504650 |
| Molecular Formula | C54H87NaO25S |
| Molecular Weight | 1191.32 |
| Molecular Weight (Monoisotopic) | 1168.5335 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Pervicoside C |
| Smiles | CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@@]89C(=O)O[C@@](C)(CCCC(C)C)[C@H]8CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)[O-])[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O.[Na+] |
| Inchi | InChI=1S/C54H88O25S.Na/c1-23(2)11-10-16-53(8)31-14-18-52(7)25-12-13-30-50(4,5)33(15-17-51(30,6)26(25)19-32(57)54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h19,23-25,27-48,55-64H,10-18,20-22H2,1-9H3,(H,66,67,68);/q;+1/p-1/t24-,25-,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53+,54-;/m1./s1 |
| Inchi Key | DEHSMOLOWCNYJI-CVURUQKOSA-M |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['4'] |
| Records Name | ['pervicoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
