Weber, Karen C. published the artcileA partial least squares regression study with antioxidant flavonoid compounds, SDS of cas: 69097-99-0, the publication is Structural Chemistry (2006), 17(3), 307-313, database is CAplus.
The quant. structure-activity relationship of a set of 19 flavonoid compounds, e.g. flavone I, presenting antioxidant activity was studied by means of PLS (Partial Least Squares) regression. The optimization of the structures and calculation of electronic properties were done by using the semiempirical method AM1. A reliable model (r2 = 0.806 and q2 = 0.730) was obtained and from this model it was possible to consider some aspects of the structure of the flavonoid compounds studied that are related with their free radical scavenging ability. The quality of the PLS model obtained in this work indicates that it can be used in order to design new flavonoid compounds that present ability to scavenge free radicals.
Structural Chemistry published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C11H8N2O2, SDS of cas: 69097-99-0.
Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics