General Characteristics
2D structure
NatID 132
Common Name Aristololactam A-III
Molecular Formula C17H13NO4
Chemical Class Aristolactams
Molecular Weight 295.084 g/mol
Other names

 

Representations
Smiles COc1ccc2cc3c4c(cc(O)c(OC)c4c2c1)C(=O)N3
Inchi InChI=1S/C17H13NO4/c1-21-9-4-3-8-5-12-14-11(17(20)18-12)7-13(19)16(22-2)15(14)10(8)6-9/h3-7,19H,1-2H3,(H,18,20)
Inchi Key XQTQPBAROQYWHN-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.28
TPSA 67.79
HBD 2
HBA 4
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 22
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9874 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