NatID | 1753 |
Common Name | NatID_1753 |
Molecular Formula | C21H24N4O4 |
Chemical Class | Fluorenes |
Molecular Weight | 396.180 g/mol |
Other names | 91000-69-0 |
Smiles | N=C(N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
Inchi | InChI=1S/C21H24N4O4/c22-20(23)24-11-5-10-18(19(26)27)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)(H4,22,23,24)/t18-/m0/s1 |
Inchi Key | DVBUCBXGDWWXNY-SFHVURJKSA-N |
3D Structure |
clogP | 2.24 |
TPSA | 137.53 |
HBD | 5 |
HBA | 4 |
Rotatable Bonds | 8 |
Aromatic Rings | 2 |
Heavy Atoms | 29 |
Aromatic Carbocycles | 2 |
Aromatic Heterocycles | 0 |
Number of NO | 8 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10477 | 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 |
---|---|---|---|---|
Loading... |