NatID | 226 |
Nombre Común | Soranjidiol-1-methyl ether,1-Methoxy-2-Methyl-6-Hydroxy-9,10-Anthraquinone |
Fórmula Molecular | C16H12O4 |
Tipo Químico | Anthracenes > Anthraquinones |
Peso Molecular | 268.074 g/mol |
Otros nombres |
Smiles | COc1c(C)ccc2c1C(=O)c1ccc(O)cc1C2=O |
Inchi | InChI=1S/C16H12O4/c1-8-3-5-11-13(16(8)20-2)15(19)10-6-4-9(17)7-12(10)14(11)18/h3-7,17H,1-2H3 |
Inchi Key | QWSAQDJMTLEQMQ-UHFFFAOYSA-N |
Estructura 3D |
clogP | 2.48 |
TPSA | 63.60 |
HBD | 1 |
HBA | 4 |
Enlaces Rotables | 1 |
Anillos aromáticos | 2 |
Átomos pesados | 20 |
Carbociclos Aromáticos | 2 |
Heterociclos Aromáticos | 0 |
Número de NO | 4 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
9682 | Heterophyllaea pustulata | No | Very High | Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
Loading... |