General Characteristics
2D structure
NatID 133
Common Name Aristolactam AIa
Molecular Formula C16H11NO4
Chemical Class Aristolactams
Molecular Weight 281.069 g/mol
Other names

 

Representations
Smiles COc1c(O)cc2c3c(cc4c(O)cccc4c13)NC2=O
Inchi InChI=1S/C16H11NO4/c1-21-15-12(19)6-9-13-10(17-16(9)20)5-8-7(14(13)15)3-2-4-11(8)18/h2-6,18-19H,1H3,(H,17,20)
Inchi Key WUNSWKSWDUMDTB-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.98
TPSA 78.79
HBD 3
HBA 4
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 21
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9869 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