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CAS 102067-92-5

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Epitheaflagallin 3-O-gallate

Description:
Epitheaflagallin 3-O-gallate is a polyphenolic compound primarily derived from certain tea leaves, particularly those from Camellia sinensis. It is a gallate ester of epitheaflagallin, which is a type of flavanol. This compound is characterized by its antioxidant properties, which are attributed to its ability to scavenge free radicals and reduce oxidative stress in biological systems. Epitheaflagallin 3-O-gallate has garnered interest in the field of nutraceuticals and functional foods due to its potential health benefits, including anti-inflammatory and anti-cancer activities. Its structure features a galloyl group, which enhances its biological activity compared to other flavanols. Additionally, it is soluble in organic solvents and exhibits varying degrees of stability depending on environmental conditions such as pH and temperature. Research continues to explore its mechanisms of action and potential therapeutic applications, making it a subject of interest in both food science and pharmacology.
Formula:C27H20O13
InChI:InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)/t20-,26-/m1/s1
InChI key:InChIKey=CMGRMMSVGCHWOK-FQRUVTKNSA-N
SMILES:O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC=5C(C(=O)C(O)=C4)=C(O)C(O)=C(O)C5
Synonyms:
  • Epitheaflagallin 3-O-gallate
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(2,3,4,6-tetrahydroxy-5-oxo-5H-benzocyclohepten-8-yl)-2H-1-benzopyran-3-yl ester, (2R-cis)-
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(2,3,4,6-tetrahydroxy-5-oxo-5H-benzocyclohepten-8-yl)-2H-1-benzopyran-3-yl ester
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