General Characteristics
2D structure
NatID 127
Common Name Aristololactam III
Molecular Formula C17H11NO4
Chemical Class Phenanthrenes and derivatives
Molecular Weight 293.069 g/mol
Other names

 

Representations
Smiles COc1ccc2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3
Inchi InChI=1S/C17H11NO4/c1-20-9-3-2-8-4-12-14-11(17(19)18-12)6-13-16(22-7-21-13)15(14)10(8)5-9/h2-6H,7H2,1H3,(H,18,19)
Inchi Key LUASRNDIAICNKN-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.30
TPSA 56.79
HBD 1
HBA 4
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 22
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9879 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