Bioactive Compound Details
| BioID | bio3520 |
|---|---|
| Name | EFROTOMYCIN |
| ChEMBL ID | CHEMBL2106443 |
| Molecular Formula | C59H88N2O20 |
| Molecular Weight | 1145.35 |
| Molecular Weight (Monoisotopic) | 1144.593 |
| Type | Oligosaccharide |
| Max Phase | Phase 2 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | EFROTOMICINA|EFROTOMYCIN|EFROTOMYCINE|MK-621|PRODUCIL |
| Smiles | C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H]2O[C@H](/C=C/C=C/C=C(\C)C(=O)c3c(O)ccn(C)c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3OC)[C@@H](OC)[C@H]2O)C1(C)C |
| Inchi | InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,62,64-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+/t33-,34+,35-,36-,38-,39+,42+,43+,44-,45-,46-,47+,48+,49-,50+,51-,52-,53+,56+,57+,59-/m1/s1 |
| Inchi Key | ASOJLQIBBYOFDE-HCHBIZCOSA-N |
| Molecular Species | None |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | None |
| Records Key | ['EFROTOMYCIN'] |
| Records Name | ['EFROTOMYCIN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
