General Characteristics
| NatID | 132 |
| Common Name | Aristololactam A-III |
| Molecular Formula | C17H13NO4 |
| Chemical Class | Aristolactams |
| Molecular Weight | 295.084 g/mol |
| Other names |
Representations
| Smiles | COc1ccc2cc3c4c(cc(O)c(OC)c4c2c1)C(=O)N3 |
| Inchi | InChI=1S/C17H13NO4/c1-21-9-4-3-8-5-12-14-11(17(20)18-12)7-13(19)16(22-2)15(14)10(8)6-9/h3-7,19H,1-2H3,(H,18,20) |
| Inchi Key | XQTQPBAROQYWHN-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.28 |
| TPSA | 67.79 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9874 | 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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