NatID | 153 |
Nombre Común | Aristolochic acid VIIa |
Fórmula Molecular | C17H11NO8 |
Tipo Químico | Phenanthrenes and derivatives > Aristolochic acids and derivatives |
Peso Molecular | 357.048 g/mol |
Otros nombres |
Smiles | COc1c(O)ccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 |
Inchi | InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21) |
Inchi Key | UCLGCTLOEZZSLA-UHFFFAOYSA-N |
Estructura 3D |
clogP | 3.04 |
TPSA | 128.36 |
HBD | 2 |
HBA | 7 |
Enlaces Rotables | 3 |
Anillos aromáticos | 3 |
Átomos pesados | 26 |
Carbociclos Aromáticos | 3 |
Heterociclos Aromáticos | 0 |
Número de NO | 9 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
9812 | Aristolochia argentina | No | High | Priestap, H. A. (1987). Minor aristolochic acids from Aristolochia argentina and mass spectral analysis of aristolochic acids. Phytochemistry, 26(2), 518–529. https://doi.org/10.1016/s0031-9422(00)81447-8 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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