NaturAr
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General Characteristics
NatID
126
Common Name
Aristolactam II
Molecular Formula
C16H9NO3
Chemical Class
Aristolactams
Molecular Weight
263.058 g/mol
Other names
Representations
Smiles
O=C1Nc2cc3ccccc3c3c4c(cc1c23)OCO4
Inchi
InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
Inchi Key
KPVDACWQNCRKTG-UHFFFAOYSA-N
3D Structure
Download
Calculated Properties
clogP
3.29
TPSA
47.56
HBD
1
HBA
3
Rotatable Bonds
0
Aromatic Rings
3
Heavy Atoms
20
Aromatic Carbocycles
3
Aromatic Heterocycles
0
Number of NO
4
Experiments
EID
Source
Semisynthetic?
Confidence level
References
9872
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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity