Características Generales
| NatID | 1086 |
| Nombre Común | NatID_1086 |
| Fórmula Molecular | C11H20O2 |
| Tipo Químico | Fatty Acyls > Fatty acid esters |
| Peso Molecular | 184.146 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC/C=C\CCOC(=O)C(C)CC |
| Inchi | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6- |
| Inchi Key | JKKGTSUICJWEKB-SREVYHEPSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.93 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Enlaces Rotables | 6 |
| Anillos aromáticos | 0 |
| Átomos pesados | 13 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9234 | Lippia integrifolia | No | Unknown | del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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