Características Generales
| NatID | 999 |
| Nombre Común | NatID_999 |
| Fórmula Molecular | C15H26O |
| Tipo Químico | Oxepanes |
| Peso Molecular | 222.198 g/mol |
| Otros nombres |
Representaciones
| Smiles | C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C |
| Inchi | InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1 |
| Inchi Key | QRVMFXFSGYDNJI-HVNMYJMUSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.02 |
| TPSA | 9.23 |
| HBD | 0 |
| HBA | 1 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9097 | Xenophyllum incisum | No | Very High | de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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