Características Generales
| NatID | 1084 |
| Nombre Común | NatID_1084 |
| Fórmula Molecular | C15H22 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 202.172 g/mol |
| Otros nombres |
Representaciones
| Smiles | Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C |
| Inchi | InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1 |
| Inchi Key | PGTJIOWQJWHTJJ-STQMWFEESA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.63 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 1 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9232 | 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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