General Characteristics
| NatID | 29 |
| Common Name | Oplopanone |
| Molecular Formula | C16H28O2 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 252.209 g/mol |
| Other names |
Representations
| Smiles | CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CCC[C@@]2(C)O |
| Inchi | InChI=1S/C16H28O2/c1-10(2)12-6-5-9-16(4,18)14-8-7-13(11(3)17)15(12)14/h10,12-15,18H,5-9H2,1-4H3/t12-,13+,14+,15+,16+/m0/s1 |
| Inchi Key | BMUDQCQRJNAEGG-UYJHQMFVSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.42 |
| TPSA | 37.30 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9780 | Aldama tucumanensis | No | High | Meragelman, K. M., Espinar, L. A., Sosa, V. E., Uriburu, M. L., & de la Fuente, J. R. (1996). Terpenoid constituents of Viguiera tucumanensis. Phytochemistry, 41(2), 499–502. https://doi.org/10.1016/0031-9422(95)00584-6 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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