General Characteristics
2D structure
NatID 137
Common Name Aristololactam BIII
Molecular Formula C18H15NO4
Chemical Class Aristolactams
Molecular Weight 309.100 g/mol
Other names

 

Representations
Smiles COc1ccc2cc3c4c(cc(OC)c(OC)c4c2c1)C(=O)N3
Inchi InChI=1S/C18H15NO4/c1-21-10-5-4-9-6-13-15-12(18(20)19-13)8-14(22-2)17(23-3)16(15)11(9)7-10/h4-8H,1-3H3,(H,19,20)
Inchi Key OQKGOEOSXXHWFQ-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.58
TPSA 56.79
HBD 1
HBA 4
Rotatable Bonds 3
Aromatic Rings 3
Heavy Atoms 23
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9877 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