General Characteristics
| NatID | 213 |
| Common Name | Sauroxine |
| Molecular Formula | C17H26N2O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 274.205 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@H]2CCCN3C |
| Inchi | InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13+,17-/m1/s1 |
| Inchi Key | HXJHQEWSHQXRPH-ZOPJHEKZSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.68 |
| TPSA | 32.34 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9145 | Phlegmariurus saururus | No | Very High | Vallejo, M. G., Ortega, M. G., Cabrera, J. L., & Agnese, A. M. (2013). N-Demethyl-sauroxine, a novel Lycodine Group alkaloid from Huperzia saururus. Tetrahedron Letters, 54(38), 5197–5200. https://doi.org/10.1016/j.tetlet.2013.07.068 |
| 9500 | 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 |
|---|---|---|---|---|
| Loading... | ||||