General Characteristics
2D structure
NatID 136
Common Name Aristololactam BII
Molecular Formula C17H13NO3
Chemical Class Aristolactams
Molecular Weight 279.090 g/mol
Other names

 

Representations
Smiles COc1cc2c3c(cc4ccccc4c3c1OC)NC2=O
Inchi InChI=1S/C17H13NO3/c1-20-13-8-11-14-12(18-17(11)19)7-9-5-3-4-6-10(9)15(14)16(13)21-2/h3-8H,1-2H3,(H,18,19)
Inchi Key YHQIYHDLBZXUON-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.58
TPSA 47.56
HBD 1
HBA 3
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 21
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9876 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