General Characteristics
| NatID | 1232 |
| Common Name | NatID_1232 |
| Molecular Formula | C16H25NO2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 263.189 g/mol |
| Other names |
Representations
| Smiles | C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@H](CC4=O)[C@@H]1O |
| Inchi | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-13,15,19H,2-9H2,1H3/t10-,11-,12+,13+,15+,16+/m0/s1 |
| Inchi Key | LBISDCPXNBKNSN-SWTKMSQOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.84 |
| TPSA | 40.54 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9499 | Phlegmariurus saururus | No | Very High | Ortega, M. G., Agnese, A. M., & Cabrera, J. L. (2004). Anticholinesterase activity in an alkaloid extract of Huperzia saururus. Phytomedicine, 11(6), 539–543. https://doi.org/10.1016/j.phymed.2003.07.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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