Características Generales
| NatID | 1099 |
| Nombre Común | NatID_1099 |
| Fórmula Molecular | C15H20O4 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 264.136 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CCC(=O)O[C@]12C |
| Inchi | InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15+/m0/s1 |
| Inchi Key | FZYIWDQVFMUXPW-OEAYZANCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.23 |
| TPSA | 52.60 |
| HBD | 0 |
| 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 |
|---|---|---|---|---|
| 9255 | Ambrosia tenuifolia | No | Very High | Oberti, J. C., Silva, G. L., Sosa, V. E., Kulanthaivel, P., & Herz, W. (1986). Ambrosanolides and secoambrosanolides from Ambrosia tenuifolia. Phytochemistry, 25(6), 1355–1358. https://doi.org/10.1016/s0031-9422(00)81289-3 |
| 9300 | Ambrosia artemisiifolia var. elatior | No | Unknown | Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||