Características Generales
| NatID | 998 |
| Nombre Común | NatID_998 |
| Fórmula Molecular | C12H18O2 |
| Tipo Químico | Prenol lipids > Monoterpenoids |
| Peso Molecular | 194.131 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C1[C@@H](OC(C)=O)C[C@H]2C[C@@H]1C2(C)C |
| Inchi | InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m1/s1 |
| Inchi Key | UDBAGFUFASPUFS-VWYCJHECSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.54 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 0 |
| Átomos pesados | 14 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9096 | 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 |
|---|---|---|---|---|
| Loading... | ||||