General Characteristics
| NatID | 1741 |
| Common Name | NatID_1741 |
| Molecular Formula | C21H24N2O4 |
| Chemical Class | Fluorenes |
| Molecular Weight | 368.174 g/mol |
| Other names | 105047-45-8 |
Representations
| Smiles | NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
| Inchi | InChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1 |
| Inchi Key | YRKFMPDOFHQWPI-IBGZPJMESA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.11 |
| TPSA | 101.65 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 8 |
| Aromatic Rings | 2 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10465 | 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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