General Characteristics
2D structure
NatID 161
Common Name Argentinine
Molecular Formula C19H21NO2
Chemical Class 6,6a-secoaporphines
Molecular Weight 295.157 g/mol
Other names

 

Representations
Smiles COc1c(O)cc(CCN(C)C)c2ccc3ccccc3c12
Inchi InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3
Inchi Key HCXNUWJYBNHDAE-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.81
TPSA 32.70
HBD 1
HBA 3
Rotatable Bonds 4
Aromatic Rings 3
Heavy Atoms 22
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10001 Aristolochia argentina No High Priestap, H. A. (1989). 13C NMR spectroscopy of aristolochic acids and aristololactams. Magnetic Resonance in Chemistry, 27(5), 460–469. https://doi.org/10.1002/mrc.1260270508

 

Bioassay ID NPASS ID Target Activity type Activity