General Characteristics
| NatID | 1419 |
| Common Name | NatID_1419 |
| Molecular Formula | C19H37NO2 |
| Chemical Class | |
| Molecular Weight | 311.282 g/mol |
| Other names | 75664-18-5 |
Representations
| Smiles | CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1C |
| Inchi | InChI=1S/C19H37NO2/c1-16(21)12-10-8-6-4-5-7-9-11-13-18-14-15-19(22)17(2)20(18)3/h17-19,22H,4-15H2,1-3H3/t17-,18+,19-/m1/s1 |
| Inchi Key | AHRLVMHWPCQOGN-CEXWTWQISA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.32 |
| TPSA | 40.54 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 11 |
| Aromatic Rings | 0 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10052 | Prosopis | No | Low | Gianinetto, I. B., Cabrera, J. L., & Juliani, H. R. (1980). Isolation of N-Methylcassine From Species of the Genus Prosopis. Journal of Natural Products, 43(5), 632–633. https://doi.org/10.1021/np50011a017 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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