General Characteristics
| NatID | 1747 |
| Common Name | NatID_1747 |
| Molecular Formula | C20H21NO4 |
| Chemical Class | Fluorenes |
| Molecular Weight | 339.147 g/mol |
| Other names | 68858-20-8 |
Representations
| Smiles | CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
| Inchi | InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1 |
| Inchi Key | UGNIYGNGCNXHTR-SFHVURJKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.63 |
| TPSA | 75.63 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 2 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10471 | 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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