General Characteristics
2D structure
NatID 1752
Common Name NatID_1752
Molecular Formula C19H19NO5
Chemical Class Fluorenes
Molecular Weight 341.126 g/mol
Other names 73731-37-0

 

Representations
Smiles C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Inchi InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17+/m1/s1
Inchi Key OYULCCKKLJPNPU-DIFFPNOSSA-N
3D Structure

 

Calculated Properties
clogP 2.36
TPSA 95.86
HBD 3
HBA 4
Rotatable Bonds 5
Aromatic Rings 2
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10476 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