General Characteristics
| NatID | 135 |
| Common Name | Aristololactam BI |
| Molecular Formula | C18H15NO4 |
| Chemical Class | Aristolactams |
| Molecular Weight | 309.100 g/mol |
| Other names |
Representations
| Smiles | COc1ccc2c(c1)cc1c3c(cc(OC)c(OC)c32)C(=O)N1 |
| Inchi | InChI=1S/C18H15NO4/c1-21-10-4-5-11-9(6-10)7-13-15-12(18(20)19-13)8-14(22-2)17(23-3)16(11)15/h4-8H,1-3H3,(H,19,20) |
| Inchi Key | YCHVTILJXJSWRO-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.58 |
| TPSA | 56.79 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 3 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9875 | 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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