Características Generales
| NatID | 1291 |
| Nombre Común | NatID_1291 |
| Fórmula Molecular | C15H26O |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 222.198 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC1=C[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)CC1 |
| Inchi | InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1 |
| Inchi Key | COGPRPSWSKLKTF-CBBWQLFWSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.78 |
| TPSA | 20.23 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 9598 | Flourensia oolepis | No | Very High | García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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