Características Generales
| NatID | 1055 |
| Nombre Común | NatID_1055 |
| Fórmula Molecular | C20H32O2 |
| Tipo Químico | Prenol lipids > Diterpenoids |
| Peso Molecular | 304.240 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12 |
| Inchi | InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18?,19+,20+/m1/s1 |
| Inchi Key | KARUSPOBGJZEMI-INTGFUSFSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.68 |
| TPSA | 37.30 |
| HBD | 1 |
| HBA | 2 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 0 |
| Átomos pesados | 22 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9187 | Aldama tucumanensis | No | Very High | Vaccarini, C. E., Palacios, S. M., Meragelman, K. M., & Sosa, V. E. (2002). Antifeedant Activity of Metabolites from Viguiera Tucumanensis. Natural Product Letters, 16(5), 323–327. https://doi.org/10.1080/10575630290030711 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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