Características Generales
| NatID | 1051 |
| Nombre Común | NatID_1051 |
| Fórmula Molecular | C15H24 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 204.188 g/mol |
| Otros nombres |
Representaciones
| Smiles | C[C@@H]1CCC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3 |
| Inchi | InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,13+,14+,15-/m1/s1 |
| Inchi Key | XGEWXQPYPMTSBD-BYGOPZEFSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.25 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9182 | 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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