General Characteristics
| NatID | 214 |
| Common Name | N-Demethylsauroxine |
| Molecular Formula | C16H24N2O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 260.189 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@]3(C1)NCCC[C@@H]23 |
| Inchi | InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11+,12+,16-/m1/s1 |
| Inchi Key | SODGYLLKKFRBQO-KZTGVZKYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.34 |
| TPSA | 41.13 |
| HBD | 2 |
| HBA | 2 |
| 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 |
|---|---|---|---|---|
| 9144 | 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 |
| 9732 | Phlegmariurus saururus | No | Very High | Vallejo, M. G., Corzo, M. E., Ortega, M. G., & Agnese, A. M. (2019). 12α-hydroxy-N-demethyl-sauroxine, a lycodane type alkaloid from Phlegmariurus saururus. Natural Product Research, 34(9), 1270–1275. https://doi.org/10.1080/14786419.2018.1560287 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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