General Characteristics
2D structure
NatID 1744
Common Name NatID_1744
Molecular Formula C18H17NO4
Chemical Class Fluorenes
Molecular Weight 311.116 g/mol
Other names 35661-39-3

 

Representations
Smiles C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Inchi InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
Inchi Key QWXZOFZKSQXPDC-NSHDSACASA-N
3D Structure

 

Calculated Properties
clogP 3.00
TPSA 75.63
HBD 2
HBA 3
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 23
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10468 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