General Characteristics
| NatID | 1610 |
| Common Name | NatID_1610 |
| Molecular Formula | C18H25NO6 |
| Chemical Class | Macrolides and analogues |
| Molecular Weight | 351.168 g/mol |
| Other names | 5096-49-1 |
Representations
| Smiles | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23 |
| Inchi | InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1 |
| Inchi Key | NPYPUYCITBTPSF-TZCAYXSXSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.16 |
| TPSA | 96.30 |
| HBD | 2 |
| HBA | 7 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10303 | 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 |
|---|---|---|---|---|
| Loading... | ||||