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: | 291 | |
|---|---|---|
| Name: | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Naringenin | |
| Labels: | ||
| CAS: | 480-41-1 | |
| InChi Code: | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.13 |
experimental value |
| -2.3052 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |