General Characteristics
2D structure
NatID 1750
Common Name NatID_1750
Molecular Formula C20H19NO4
Chemical Class Fluorenes
Molecular Weight 337.131 g/mol
Other names 71989-31-6

 

Representations
Smiles O=C(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
Inchi InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m0/s1
Inchi Key ZPGDWQNBZYOZTI-SFHVURJKSA-N
3D Structure

 

Calculated Properties
clogP 3.48
TPSA 66.84
HBD 1
HBA 3
Rotatable Bonds 3
Aromatic Rings 2
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10474 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