Características Generales
| NatID | 42 |
| Nombre Común | Ambrosic acid |
| Fórmula Molecular | C15H20O4 |
| Tipo Químico | Oxanes |
| Peso Molecular | 264.136 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C(C(=O)O)[C@H]1C[C@]2(C)C(=O)CC[C@]23O[C@H]1C[C@@H]3C |
| Inchi | InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)18)7-14(3)12(16)4-5-15(8,14)19-11/h8,10-11H,2,4-7H2,1,3H3,(H,17,18)/t8-,10+,11-,14+,15+/m0/s1 |
| Inchi Key | ZONXEWIGPLHXNT-ULEBWITMSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.18 |
| TPSA | 63.60 |
| HBD | 1 |
| HBA | 3 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 0 |
| Átomos pesados | 19 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9251 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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