General Characteristics
| NatID | 161 |
| Common Name | Argentinine |
| Molecular Formula | C19H21NO2 |
| Chemical Class | 6,6a-secoaporphines |
| Molecular Weight | 295.157 g/mol |
| Other names |
Representations
| Smiles | COc1c(O)cc(CCN(C)C)c2ccc3ccccc3c12 |
| Inchi | InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3 |
| Inchi Key | HCXNUWJYBNHDAE-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.81 |
| TPSA | 32.70 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 3 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10001 | Aristolochia argentina | No | High | Priestap, H. A. (1989). 13C NMR spectroscopy of aristolochic acids and aristololactams. Magnetic Resonance in Chemistry, 27(5), 460–469. https://doi.org/10.1002/mrc.1260270508 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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