NatID | 125 |
Common Name | Aristolactam;I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one |
Molecular Formula | C17H11NO4 |
Chemical Class | Aristolactams |
Molecular Weight | 293.069 g/mol |
Other names | Aristolactam I,8-methoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one |
Smiles | COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1 |
Inchi | InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19) |
Inchi Key | MXOKGWUJNGEKBH-UHFFFAOYSA-N |
3D Structure |
clogP | 3.30 |
TPSA | 56.79 |
HBD | 1 |
HBA | 4 |
Rotatable Bonds | 1 |
Aromatic Rings | 3 |
Heavy Atoms | 22 |
Aromatic Carbocycles | 3 |
Aromatic Heterocycles | 0 |
Number of NO | 5 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9873 | 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 |
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