Bioactive Compound Details
| BioID | bio199224 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL451449 |
| Molecular Formula | C32H53NO8 |
| Molecular Weight | 579.78 |
| Molecular Weight (Monoisotopic) | 579.3771 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Des-Methyldiscodermolide |
| 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[C@@H](O)[C@H]1C |
| Inchi | InChI=1S/C32H53NO8/c1-9-10-11-20(4)31(41-32(33)39)24(8)30(38)22(6)15-18(2)14-21(5)29(37)19(3)12-13-25(34)16-27-23(7)26(35)17-28(36)40-27/h9-14,19-27,29-31,34-35,37-38H,1,15-17H2,2-8H3,(H2,33,39)/b11-10-,13-12-,18-14-/t19-,20-,21-,22-,23+,24-,25+,26+,27-,29-,30+,31-/m0/s1 |
| Inchi Key | HZBDUFFQZCAYAX-NMSLFDRSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.64 |
| Records Key | ['3'] |
| Records Name | ['2-des-methyldiscodermolide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
