General Characteristics
| NatID | 1460 |
| Common Name | NatID_1460 |
| Molecular Formula | C17H20N2O5 |
| Chemical Class | Azolidines > Imidazolidines |
| Molecular Weight | 332.137 g/mol |
| Other names | 923582-49-4 |
Representations
| Smiles | C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1NC(=O)N[C@H]12 |
| Inchi | InChI=1S/C17H20N2O5/c1-4-5-6-7-8(20)9-10-11-12(19-15(23)18-11)16(2,13(9)21)14(22)17(10,3)24/h4-7,10-12,20,24H,1-3H3,(H2,18,19,23)/b5-4+,7-6+,9-8-/t10-,11-,12-,16-,17+/m1/s1 |
| Inchi Key | NODJPSIQFZDTJH-SSUUWWSHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.52 |
| TPSA | 115.73 |
| HBD | 4 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10096 | Marquandomyces marquandii | No | Low | Cabrera, G. M., Butler, M., Rodriguez, M. A., Godeas, A., Haddad, R., & Eberlin, M. N. (2006). A Sorbicillinoid Urea from an Intertidal Paecilomyces marquandii. Journal of Natural Products, 69(12), 1806–1808. https://doi.org/10.1021/np060315d |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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