Características Generales
| NatID | 1053 |
| Nombre Común | NatID_1053 |
| Fórmula Molecular | C11H18 |
| Tipo Químico | Unsaturated hydrocarbons > Olefins |
| Peso Molecular | 150.141 g/mol |
| Otros nombres |
Representaciones
| Smiles | C/C=C\C=C/C=C/CCCC |
| Inchi | InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9-11H,4,6,8H2,1-2H3/b5-3-,9-7-,11-10+ |
| Inchi Key | XQQUSVHISAVPIV-MUYAZXKQSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.87 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 5 |
| Anillos aromáticos | 0 |
| Átomos pesados | 11 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9184 | Aristolochia argentina | No | Very High | Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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