Características Generales
| NatID | 1068 |
| Nombre Común | NatID_1068 |
| Fórmula Molecular | C15H24 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 204.188 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1 |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1 |
| Inchi Key | XZRVRYFILCSYSP-OAHLLOKOSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 5.04 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 0 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9211 | 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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