General Characteristics
| NatID | 1469 |
| Common Name | NatID_1469 |
| Molecular Formula | C18H25NO5 |
| Chemical Class | Macrolides and analogues |
| Molecular Weight | 335.173 g/mol |
| Other names | 72755-25-0 |
Representations
| Smiles | C=C1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C(C)C1C)C23 |
| Inchi | InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3 |
| Inchi Key | FLUOSFVUPTUYEX-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.05 |
| 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 |
|---|---|---|---|---|
| 10108 | Senecio leucostachys | No | Unknown | Pestchanker, M. J., & Giordano, O. S. (1986). Pyrrolizidine Alkaloids from Five Senecio Species. Journal of Natural Products, 49(4), 722–723. https://doi.org/10.1021/np50046a041 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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