Características Generales
| NatID | 125 |
| Nombre Común | Aristolactam;I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one |
| Fórmula Molecular | C17H11NO4 |
| Tipo Químico | Aristolactams |
| Peso Molecular | 293.069 g/mol |
| Otros nombres | Aristolactam I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one |
Representaciones
| Smiles | COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1 |
| Inchi | InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19) |
| Inchi Key | MXOKGWUJNGEKBH-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.30 |
| TPSA | 56.79 |
| HBD | 1 |
| HBA | 4 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 3 |
| Átomos pesados | 22 |
| Carbociclos Aromáticos | 3 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9873 | Aristolochia argentina | No | High | A. Priestap, H. (1985). Seven aristololactams from Aristolochia argentina. Phytochemistry, 24(4), 849–852. https://doi.org/10.1016/s0031-9422(00)84905-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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