General Characteristics
2D structure
NatID 126
Common Name Aristolactam II
Molecular Formula C16H9NO3
Chemical Class Aristolactams
Molecular Weight 263.058 g/mol
Other names

 

Representations
Smiles O=C1Nc2cc3ccccc3c3c4c(cc1c23)OCO4
Inchi InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
Inchi Key KPVDACWQNCRKTG-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.29
TPSA 47.56
HBD 1
HBA 3
Rotatable Bonds 0
Aromatic Rings 3
Heavy Atoms 20
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9872 Aristolochia argentina No High A. Priestap, H. (1985). Seven aristololactams from Aristolochia argentina. Phytochemistry, 24(4), 849–852. https://doi.org/10.1016/s0031-9422(00)84905-5

 

Bioassay ID NPASS ID Target Activity type Activity