General Characteristics
2D structure
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