Weber, Karen C.’s team published research in Journal of Molecular Modeling in 12 | CAS: 69097-99-0

Journal of Molecular Modeling 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 C7H13ClNNaO5S, Synthetic Route of 69097-99-0.

Weber, Karen C. published the artcileThe use of classification methods for modeling the antioxidant activity of flavonoid compounds, Synthetic Route of 69097-99-0, the publication is Journal of Molecular Modeling (2006), 12(6), 915-920, database is CAplus and MEDLINE.

A study using two classification methods (SDA and SIMCA) was carried out in this work with the aim of investigating the relationship between the structure of flavonoid compounds and their free-radical-scavenging ability. In this work, we report the use of chemometric methods (SDA and SIMCA) able to select the most relevant variables (steric, electronic, and topol.) responsible for this ability. The results obtained with the SDA and SIMCA methods agree perfectly with our previous model, in which we used other chemometric methods (PCA, HCA and KNN) and are also corroborated with exptl. results from the literature. This is a strong indication of how reliable the selection of variables is.

Journal of Molecular Modeling 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 C7H13ClNNaO5S, Synthetic Route of 69097-99-0.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics