General Characteristics
| NatID | 136 |
| Common Name | Aristololactam BII |
| Molecular Formula | C17H13NO3 |
| Chemical Class | Aristolactams |
| Molecular Weight | 279.090 g/mol |
| Other names |
Representations
| Smiles | COc1cc2c3c(cc4ccccc4c3c1OC)NC2=O |
| Inchi | InChI=1S/C17H13NO3/c1-20-13-8-11-14-12(18-17(11)19)7-9-5-3-4-6-10(9)15(14)16(13)21-2/h3-8H,1-2H3,(H,18,19) |
| Inchi Key | YHQIYHDLBZXUON-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.58 |
| TPSA | 47.56 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9876 | 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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