General Characteristics
2D structure
NatID 125
Common Name Aristolactam;I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
Molecular Formula C17H11NO4
Chemical Class Aristolactams
Molecular Weight 293.069 g/mol
Other names Aristolactam I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one

 

Representations
Smiles COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1
Inchi InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
Inchi Key MXOKGWUJNGEKBH-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
9873 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