General Characteristics
| NatID | 1608 |
| Common Name | NatID_1608 |
| Molecular Formula | C18H27NO5 |
| Chemical Class | Macrolides and analogues |
| Molecular Weight | 337.189 g/mol |
| Other names | 20361-76-6 |
Representations
| Smiles | C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 |
| Inchi | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15-,18-/m1/s1 |
| Inchi Key | BTHCJHQOYFUIMG-CDQUAFCBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.27 |
| TPSA | 76.07 |
| HBD | 1 |
| HBA | 6 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10300 | Senecio viravira | No | Low | Jares, E., & Pomilio, A. B. (1987). Pyrrolizidine Alkaloids and Other Components of Senecio vira-vira. Journal of Natural Products, 50(3), 514–514. https://doi.org/10.1021/np50051a034 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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