General Characteristics
| NatID | 126 |
| Common Name | Aristolactam II |
| Molecular Formula | C16H9NO3 |
| Chemical Class | Aristolactams |
| Molecular Weight | 263.058 g/mol |
| Other names |
Representations
| Smiles | O=C1Nc2cc3ccccc3c3c4c(cc1c23)OCO4 |
| Inchi | InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18) |
| Inchi Key | KPVDACWQNCRKTG-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.29 |
| TPSA | 47.56 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 3 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9872 | 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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