General Characteristics
2D structure
NatID 128
Common Name Aristololactam IV
Molecular Formula C18H13NO5
Chemical Class Aristolactams
Molecular Weight 323.079 g/mol
Other names

 

Representations
Smiles COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3
Inchi InChI=1S/C18H13NO5/c1-21-8-3-10-9(13(4-8)22-2)5-12-15-11(18(20)19-12)6-14-17(16(10)15)24-7-23-14/h3-6H,7H2,1-2H3,(H,19,20)
Inchi Key IVQJJWTYXXUJQG-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.30
TPSA 66.02
HBD 1
HBA 5
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 24
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9881 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