General Characteristics
2D structure
NatID 1751
Common Name NatID_1751
Molecular Formula C18H17NO5
Chemical Class Fluorenes
Molecular Weight 327.111 g/mol
Other names 73724-45-5

 

Representations
Smiles O=C(N[C@@H](CO)C(=O)O)OCC1c2ccccc2-c2ccccc21
Inchi InChI=1S/C18H17NO5/c20-9-16(17(21)22)19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t16-/m0/s1
Inchi Key JZTKZVJMSCONAK-INIZCTEOSA-N
3D Structure

 

Calculated Properties
clogP 1.97
TPSA 95.86
HBD 3
HBA 4
Rotatable Bonds 5
Aromatic Rings 2
Heavy Atoms 24
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10475 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