General Characteristics
| NatID | 133 |
| Common Name | Aristolactam AIa |
| Molecular Formula | C16H11NO4 |
| Chemical Class | Aristolactams |
| Molecular Weight | 281.069 g/mol |
| Other names |
Representations
| Smiles | COc1c(O)cc2c3c(cc4c(O)cccc4c13)NC2=O |
| Inchi | InChI=1S/C16H11NO4/c1-21-15-12(19)6-9-13-10(17-16(9)20)5-8-7(14(13)15)3-2-4-11(8)18/h2-6,18-19H,1H3,(H,17,20) |
| Inchi Key | WUNSWKSWDUMDTB-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.98 |
| TPSA | 78.79 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 3 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9869 | 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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