Características Generales
| NatID | 1410 |
| Nombre Común | NatID_1410 |
| Fórmula Molecular | C15H26O |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 222.198 g/mol |
| Otros nombres | 104975-19-1 |
Representaciones
| Smiles | C[C@@H]1CC[C@H]2[C@]3(C)C[C@@H]3CC(C)(C)C[C@]21O |
| Inchi | InChI=1S/C15H26O/c1-10-5-6-12-14(4)8-11(14)7-13(2,3)9-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14-,15-/m1/s1 |
| Inchi Key | KVFZUTBKAXAVDX-CYHVGBIXSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.61 |
| 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 |
|---|---|---|---|---|
| 10042 | Lippia integrifolia | No | Low | 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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