General Characteristics
2D structure
NatID 131
Common Name Aristolactam AII
Molecular Formula C16H11NO3
Chemical Class Aristolactams
Molecular Weight 265.074 g/mol
Other names

 

Representations
Smiles COc1c(O)cc2c3c(cc4ccccc4c13)NC2=O
Inchi InChI=1S/C16H11NO3/c1-20-15-12(18)7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15/h2-7,18H,1H3,(H,17,19)
Inchi Key ZEKAIRFOYPDZNC-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.27
TPSA 58.56
HBD 2
HBA 3
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 20
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9870 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