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. Author manuscript; available in PMC: 2025 Mar 7.
Published in final edited form as: Results Chem. 2024 Dec 15;13:101970. doi: 10.1016/j.rechem.2024.101970

Table 6.

Medicinal chemistry of anthocyanins and pirfenidone.

CID Compound Name PAINS Brenk
443,654 Peonidin-3-glucoside 0 1 (oxygen_sulfur)
443,648 Pelargonidin-3-glucoside 0 1 (oxygen_sulfur)
441,699 Cyanidin 3-O-galactoside 1 (cathechol_A) 2 (oxygen_sulfur; cathechol_A)
443,650 Delphinidin 3-glucoside 1 (cathechol_A) 2 (oxygen sulfur; cathechol_A)
91,810,512 Peonidin 3-galactoside 0 1 (oxygen_sulfur)
12,303,220 Cyanidin 3-glucoside 1 (cathechol_A) 2 (oxygen sulfur; cathechol_A)
40,632 Pirfenidone 0 0

PAINS: pan assay interference structure.