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: | 259 | |
|---|---|---|
| Name: | 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Genistein | |
| Labels: | ||
| CAS: | 446-72-0 | |
| InChi Code: | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -0.36 |
experimental value |
| -2.1115 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |