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: | 309 | |
|---|---|---|
| Name: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Myricetin | |
| Labels: | ||
| CAS: | 529-44-2 | |
| InChi Code: | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.75 |
experimental value |
| -2.7415 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |