NaturAr
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General Characteristics
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
Download
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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity