Características Generales
| NatID | 997 |
| Nombre Común | NatID_997 |
| Fórmula Molecular | C15H22O |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 218.167 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 |
| Inchi | InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1 |
| Inchi Key | KUFXJZXMWHNCEH-DOMZBBRYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.05 |
| TPSA | 17.07 |
| HBD | 0 |
| HBA | 1 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9095 | 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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