Características Generales
| NatID | 1095 |
| Nombre Común | NatID_1095 |
| Fórmula Molecular | C15H24O |
| Tipo Químico | Organooxygen compounds > Alcohols and polyols |
| Peso Molecular | 220.183 g/mol |
| Otros nombres | 227606-70-4 |
Representaciones
| Smiles | C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@H]1C[C@]12C |
| Inchi | InChI=1S/C15H24O/c1-10-5-6-15(16)12(10)9-13(2,3)7-11-8-14(11,15)4/h9-11,16H,5-8H2,1-4H3/t10-,11+,14-,15+/m1/s1 |
| Inchi Key | NPYWCGZXPHXONM-BVIHXZOGSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.53 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9243 | 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 Fricke, C., Hardt, I. H., König, W. A., Joulain, D., Zygadlo, J. A., & Guzmàn, C. A. (1999). Sesquiterpenes from Lippia integrifolia Essential Oil. Journal of Natural Products, 62(5), 694–696. https://doi.org/10.1021/np980424v |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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