Características Generales
| NatID | 623 |
| Nombre Común | 11,13-dihydrohymenin |
| Fórmula Molecular | C15H20O4 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 264.136 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@]1(O)C=CC(=O)[C@@]21C |
| Inchi | InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-10,12,18H,4-5H2,1-3H3/t8-,9?,10-,12+,14-,15-/m0/s1 |
| Inchi Key | OYBKYXUMZIXQDT-QIENHEJOSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.47 |
| TPSA | 63.60 |
| HBD | 1 |
| HBA | 4 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 19 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9852 | Artemisia douglasiana | No | High | Guerreiro, E., Garcia, E. E., Pestchanker, M. J., Enriz, R. D., Rodriguez, A. M., Maria, A., & Wendel, G. H. (1995). Cytoprotective Activity of Minor Constituents ofArtemisia Douglasiana. Natural Product Letters, 6(4), 269–280. https://doi.org/10.1080/10575639508043170 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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