General Characteristics
2D structure
NatID 134
Common Name Aristolactam AIIIa
Molecular Formula C16H11NO4
Chemical Class Aristolactams
Molecular Weight 281.069 g/mol
Other names

 

Representations
Smiles COc1c(O)cc2c3c(cc4ccc(O)cc4c13)NC2=O
Inchi InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
Inchi Key PFXGXKFPTAJYHV-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
9871 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