Características Generales
| NatID | 1045 |
| Nombre Común | NatID_1045 |
| Fórmula Molecular | C15H24 |
| Tipo Químico | Prenol lipids > Monoterpenoids |
| Peso Molecular | 204.188 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2 |
| Inchi | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1 |
| Inchi Key | YMBFCQPIMVLNIU-SOUVJXGZSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.73 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 3 |
| Anillos aromáticos | 0 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9176 | 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 |
| 9428 | Helenium argentinum | No | Very High | Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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