General Characteristics
| NatID | 129 |
| Common Name | Aristololactam Ia |
| Molecular Formula | C16H9NO4 |
| Chemical Class | Aristolactams |
| Molecular Weight | 279.053 g/mol |
| Other names |
Representations
| Smiles | O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4 |
| Inchi | InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19) |
| Inchi Key | OVACCXPNQSWBBB-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.99 |
| TPSA | 67.79 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 3 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9878 | 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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