Características Generales
| NatID | 613 |
| Nombre Común | γ-Costic aldehyde |
| Fórmula Molecular | C15H22O |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 218.167 g/mol |
| Otros nombres | γ-Costal |
Representaciones
| Smiles | C=C(C=O)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 |
| Inchi | InChI=1S/C15H22O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h10,13H,2,4-9H2,1,3H3/t13-,15-/m1/s1 |
| Inchi Key | ISTFUJWTQAMRGA-UKRRQHHQSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.05 |
| TPSA | 17.07 |
| HBD | 0 |
| HBA | 1 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9700 | Flourensia oolepis | No | Unknown | Donadel, O. J., Guerreiro, E., María, A. O., Wendel, G., Enriz, R. D., Giordano, O. S., & Tonn, C. E. (2005). Gastric cytoprotective activity of ilicic aldehyde: Structure–activity relationships. Bioorganic & Medicinal Chemistry Letters, 15(15), 3547–3550. https://doi.org/10.1016/j.bmcl.2005.05.053 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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