Características Generales
| NatID | 144 |
| Nombre Común | Aristolochic acid II |
| Fórmula Molecular | C16H9NO6 |
| Tipo Químico | Phenanthrenes and derivatives > Aristolochic acids and derivatives |
| Peso Molecular | 311.043 g/mol |
| Otros nombres |
Representaciones
| Smiles | O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2 |
| Inchi | InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19) |
| Inchi Key | MEEXETVZNQYRSP-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.33 |
| TPSA | 98.90 |
| HBD | 1 |
| HBA | 5 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 3 |
| Átomos pesados | 23 |
| Carbociclos Aromáticos | 3 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 7 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9801 | Aristolochia argentina | No | High | Priestap, H. A. (1987). Minor aristolochic acids from Aristolochia argentina and mass spectral analysis of aristolochic acids. Phytochemistry, 26(2), 518–529. https://doi.org/10.1016/s0031-9422(00)81447-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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