General Characteristics
2D structure
NatID 1753
Common Name NatID_1753
Molecular Formula C21H24N4O4
Chemical Class Fluorenes
Molecular Weight 396.180 g/mol
Other names 91000-69-0

 

Representations
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

 

Calculated Properties
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

 

Experiments
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