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Four new flavones, 5,2′-dihydroxy-7,3′,4′,5′-tetramethoxyflavone (1), 5,2′,5′-trihydroxy-7,3′,4′-trimethoxyflavone (2), 5,7,2′,5′-tetrahydroxy-6,3′,4′-trimethoxyflavone (3) and 5,2′,5′-trihydroxy-6,7,3′,4′-tetramethoxyflavone (4), along with the known 5,3′-dihydroxy-6,7,4′,5′-tetramethoxyflavone (5), 5,7,3′,5′-tetrahydroxy-6,4′-dimethoxyflavone (6), syringaldehyde, vanillic acid and scopoletin were...
The molecular orbital semi-empirical method AM1 was employed to calculate a set of molecular properties (variables) of 22 flavonoid compounds (flavones) with anti-HIV-1 activity and nine new compounds were proposed for anti-HIV-1 activity prediction. Pattern recognition techniques, principal component analysis (PCA), hierarchical cluster analysis (HCA), stepwise discriminant analysis (SDA) and K-nearest...
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