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: | 258 | |
|---|---|---|
| Name: | 3,6-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,6,4'-Trihydroxyflavone | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-7-10(17)5-6-12(11)20-15/h1-7,16-17,19H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -0.35 |
experimental value |
| -2.7284 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |