Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 321 | |
|---|---|---|
| Name: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Baicalein | |
| Labels: | ||
| CAS: | 491-67-8 | |
| InChi Code: | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.05 |
experimental value |
| -2.6159 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |