General Characteristics
2D structure
NatID 130
Common Name Aristololactam IIIa
Molecular Formula C16H9NO4
Chemical Class Aristolactams
Molecular Weight 279.053 g/mol
Other names

 

Representations
Smiles O=C1Nc2cc3ccc(O)cc3c3c4c(cc1c23)OCO4
Inchi InChI=1S/C16H9NO4/c18-8-2-1-7-3-11-13-10(16(19)17-11)5-12-15(21-6-20-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,17,19)
Inchi Key XCYLMCOZDQCDRH-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.99
TPSA 67.79
HBD 2
HBA 4
Rotatable Bonds 0
Aromatic Rings 3
Heavy Atoms 21
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9880 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