Características Generales
| NatID | 981 |
| Nombre Común | NatID_981 |
| Fórmula Molecular | C15H24O |
| Tipo Químico | Organooxygen compounds > Alcohols and polyols |
| Peso Molecular | 220.183 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]1/C=C/C(C)C |
| Inchi | InChI=1S/C15H24O/c1-6-15(5)13(9-7-11(2)3)12(4)8-10-14(15)16/h6-7,9,11,13-14,16H,1,4,8,10H2,2-3,5H3/b9-7+/t13-,14-,15-/m0/s1 |
| Inchi Key | DXMDZNOPRIYRBA-DUIMAYQASA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.72 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Enlaces Rotables | 3 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9078 | 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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