Bioactive Compound Details
| BioID | bio199949 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL453645 |
| Molecular Formula | C33H55NO8 |
| Molecular Weight | 593.8 |
| Molecular Weight (Monoisotopic) | 593.3928 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Epi-Discodermolide |
| Smiles | C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H]1C |
| Inchi | InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29+,30-,31-/m0/s1 |
| Inchi Key | AADVCYNFEREWOS-IMXZWMQCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.66 |
| Records Key | ['2'] |
| Records Name | ['2-epi-discodermolide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
