General Characteristics
| NatID | 1357 |
| Common Name | NatID_1357 |
| Molecular Formula | C16H24N2O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 276.184 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@]3(C1)NCCC[C@@]23O |
| Inchi | InChI=1S/C16H24N2O2/c1-10-7-11-8-13-12(3-4-14(19)18-13)15(9-10)16(11,20)5-2-6-17-15/h10-11,17,20H,2-9H2,1H3,(H,18,19)/t10-,11+,15+,16-/m1/s1 |
| Inchi Key | WFGOVFXFPPSKAW-LZJQFABFSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.45 |
| TPSA | 61.36 |
| HBD | 3 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9731 | 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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