Bioactive Compound Details
| BioID | bio2528 |
|---|---|
| Name | MURUCIN 9 |
| ChEMBL ID | CHEMBL503301 |
| Molecular Formula | C58H102O24 |
| Molecular Weight | 1183.43 |
| Molecular Weight (Monoisotopic) | 1182.6761 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Murucin 9 |
| 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]4O[C@H]3O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[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/C58H102O24/c1-7-9-11-12-13-14-17-20-24-28-37(60)77-52-46(69)48(79-56-51(44(67)40(63)32(4)72-56)81-54-45(68)42(65)41(64)36(30-59)76-54)33(5)73-57(52)80-49-34(6)74-58-53(47(49)70)78-38(61)29-25-21-18-15-16-19-23-27-35(26-22-10-8-2)75-55-50(82-58)43(66)39(62)31(3)71-55/h31-36,39-59,62-70H,7-30H2,1-6H3/t31-,32+,33+,34+,35?,36-,39-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56+,57+,58-/m1/s1 |
| Inchi Key | GPKPGNBAWUNOQB-NYGNLZOMSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['11'] |
| Records Name | ['Murucin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
