Características Generales
| NatID | 1176 |
| Nombre Común | NatID_1176 |
| Fórmula Molecular | C15H24 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 204.188 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC1=CC[C@]23[C@H]1[C@H]2[C@H](C(C)C)CC[C@H]3C |
| Inchi | InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1 |
| Inchi Key | XUEHVOLRMXNRKQ-KHMAMNHCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.27 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 0 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9420 | 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 |
| 9593 | Flourensia oolepis | No | Very High | García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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