NatID | 508 |
Nombre Común | artemetina |
Fórmula Molecular | C20H20O8 |
Tipo Químico | Flavonoids > O-methylated flavonoids |
Peso Molecular | 388.116 g/mol |
Otros nombres | 479-90-3 |
Smiles | COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC |
Inchi | InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3 |
Inchi Key | RIGYMJVFEJNCKD-UHFFFAOYSA-N |
Estructura 3D |
clogP | 3.21 |
TPSA | 96.59 |
HBD | 1 |
HBA | 8 |
Enlaces Rotables | 6 |
Anillos aromáticos | 3 |
Átomos pesados | 28 |
Carbociclos Aromáticos | 2 |
Heterociclos Aromáticos | 1 |
Número de NO | 8 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
10020 | Tessaria integrifolia | No | Unknown | Guerreiro, E., Pestchanker, M. J., Vitto, L. D., & Giordano, O. S. (1990). Sesquiterpenes and flavonoids from Tessaria species. Phytochemistry, 29(3), 877–879. https://doi.org/10.1016/0031-9422(90)80037-h |
10272 | Stevia procumbens | No | Low | Sosa, V. E., Gil, R., Oberti, J. C., Kulanthaivel, P., & Herz, W. (1985). Sesquiterpene Lactones and Flavones from Stevia procumbens. Journal of Natural Products, 48(2), 340–341. https://doi.org/10.1021/np50038a037 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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