General Characteristics
2D structure
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