Bioactive Compound Details
| BioID | bio200313 |
|---|---|
| Name | MURUCIN 2 |
| ChEMBL ID | CHEMBL494446 |
| Molecular Formula | C61H106O25 |
| Molecular Weight | 1239.49 |
| Molecular Weight (Monoisotopic) | 1238.7023 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Murucin 2 |
| Smiles | CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H]3OC(=O)CCCCCCCCCC(CCCCC)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@H]4OC3O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CC)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Inchi | InChI=1S/C61H106O25/c1-8-11-13-14-15-16-19-22-26-30-40(64)81-54-48(72)52(84-61-56(47(71)50(34(5)75-61)80-39(63)10-3)85-57-46(70)44(68)43(67)38(32-62)79-57)35(6)76-59(54)83-51-36(7)77-60-55(49(51)73)82-41(65)31-27-23-20-17-18-21-25-29-37(28-24-12-9-2)78-58-53(86-60)45(69)42(66)33(4)74-58/h33-38,42-62,66-73H,8-32H2,1-7H3/t33-,34+,35+,36+,37?,38-,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60?,61+/m1/s1 |
| Inchi Key | RYIDWTWUNMIANO-YQIHXUGCSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['2'] |
| Records Name | ['Murucin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
