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CAS 83327-21-3

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4-Methoxyglucobrassicin

Description:
4-Methoxyglucobrassicin is a naturally occurring glucosinolate, a type of sulfur-containing compound found primarily in cruciferous vegetables such as broccoli, Brussels sprouts, and cabbage. This compound is notable for its potential health benefits, including antioxidant and anti-cancer properties, attributed to its ability to produce bioactive metabolites upon hydrolysis. Structurally, 4-Methoxyglucobrassicin consists of a glucose moiety linked to a methoxy-substituted indole, which contributes to its biological activity. It is soluble in water and polar organic solvents, making it bioavailable in various physiological environments. The compound is of interest in nutritional and pharmaceutical research due to its role in the plant's defense mechanisms and its implications for human health. Additionally, studies have suggested that glucosinolates like 4-Methoxyglucobrassicin may influence enzyme activity related to detoxification processes in the body. Overall, this compound exemplifies the intersection of plant chemistry and human health, highlighting the importance of dietary sources of glucosinolates in promoting wellness.
Formula:C17H22N2O10S2
InChI:InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/t11-,14-,15+,16-,17+/m1/s1
InChI key:InChIKey=IIAGSABLXRZUSE-UFRBAHOGSA-N
SMILES:C(C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(=O)(=O)O)C=2C=3C(NC2)=CC=CC3OC
Synonyms:
  • β-D-Glucopyranose, 1-thio-, 1-[4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
  • 4-Methoxyindol-3-methyl glucosinolate
  • 4-Methoxyglucobrassicin
  • (4-Methoxy-3-indolylmethyl)glucosinolate
  • See more synonyms
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