Bioactive Compound Details
| BioID | bio198181 |
|---|---|
| Name | ROSARAMICIN BUTYRATE |
| ChEMBL ID | CHEMBL3989789 |
| Molecular Formula | C35H57NO10 |
| Molecular Weight | 651.84 |
| Molecular Weight (Monoisotopic) | 651.3982 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | ROSAMICIN 2'-BUTANOATE|ROSAMICIN BUTYRATE|ROSARAMICIN BUTYRATE|SCH 18667|SCH-18667 |
| Smiles | CCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]3(C)O[C@H]3[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)C[C@@H]1N(C)C |
| Inchi | InChI=1S/C35H57NO10/c1-10-12-29(40)44-32-25(36(8)9)18-21(4)42-34(32)45-31-22(5)27(39)19-30(41)43-28(11-2)23(6)33-35(7,46-33)15-13-26(38)20(3)17-24(31)14-16-37/h13,15-16,20-25,27-28,31-34,39H,10-12,14,17-19H2,1-9H3/b15-13+/t20-,21-,22+,23-,24+,25+,27-,28-,31+,32-,33+,34+,35+/m1/s1 |
| Inchi Key | BXRFQJOFRKZZPI-RBGALTJNSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.96 |
| Records Key | ['ROSARAMICIN BUTYRATE'] |
| Records Name | ['ROSARAMICIN BUTYRATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
