General Characteristics
| NatID | 1743 |
| Common Name | NatID_1743 |
| Molecular Formula | C17H15NO4 |
| Chemical Class | Fluorenes |
| Molecular Weight | 297.100 g/mol |
| Other names | 29022-11-5 |
Representations
| Smiles | O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21 |
| Inchi | InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20) |
| Inchi Key | NDKDFTQNXLHCGO-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.61 |
| TPSA | 75.63 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10467 | Boana pulchella | No | Low | Siano, A., Húmpola, M. V., de Oliveira, E., Albericio, F., Simonetta, A. C., Lajmanovich, R., & Tonarelli, G. G. (2014). Antimicrobial Peptides from Skin Secretions of Hypsiboas pulchellus (Anura: Hylidae). Journal of Natural Products, 77(4), 831–841. https://doi.org/10.1021/np4009317 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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