General Characteristics
| NatID | 128 |
| Common Name | Aristololactam IV |
| Molecular Formula | C18H13NO5 |
| Chemical Class | Aristolactams |
| Molecular Weight | 323.079 g/mol |
| Other names |
Representations
| Smiles | COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3 |
| Inchi | InChI=1S/C18H13NO5/c1-21-8-3-10-9(13(4-8)22-2)5-12-15-11(18(20)19-12)6-14-17(16(10)15)24-7-23-14/h3-6H,7H2,1-2H3,(H,19,20) |
| Inchi Key | IVQJJWTYXXUJQG-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.30 |
| TPSA | 66.02 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9881 | 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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