General Characteristics
| NatID | 1751 |
| Common Name | NatID_1751 |
| Molecular Formula | C18H17NO5 |
| Chemical Class | Fluorenes |
| Molecular Weight | 327.111 g/mol |
| Other names | 73724-45-5 |
Representations
| Smiles | O=C(N[C@@H](CO)C(=O)O)OCC1c2ccccc2-c2ccccc21 |
| Inchi | InChI=1S/C18H17NO5/c20-9-16(17(21)22)19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t16-/m0/s1 |
| Inchi Key | JZTKZVJMSCONAK-INIZCTEOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.97 |
| TPSA | 95.86 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 2 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10475 | 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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