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CAS 5187-84-8

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Neoglucobrassicin

Description:
Neoglucobrassicin is a naturally occurring glucosinolate, a type of sulfur-containing compound primarily found in cruciferous vegetables such as broccoli, Brussels sprouts, and cabbage. It is characterized by its chemical structure, which includes a glucose moiety linked to a sulfur-containing aglycone. Neoglucobrassicin is known for its potential health benefits, including antioxidant properties and possible anticancer effects, attributed to its ability to modulate various biological pathways. Upon hydrolysis, it can yield biologically active compounds, such as indole-3-carbinol, which have been studied for their role in cancer prevention. The compound is also recognized for its role in plant defense mechanisms against pests and pathogens. In terms of solubility, neoglucobrassicin is generally soluble in water, which facilitates its bioavailability in the human diet. Its presence in the diet is associated with various health benefits, making it a subject of interest in nutritional and medicinal research. Overall, neoglucobrassicin exemplifies the complex interplay between plant chemistry and human health.
Formula:C17H22N2O10S2
InChI:InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1
InChI key:InChIKey=PKKMITFKYRCCOL-CMZRPVNOSA-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(N(OC)C2)=CC=CC3
Synonyms:
  • Glucopyranose, 1-thio-, 1-(1-methoxyindole-3-acetohydroximate) NO-(hydrogen sulfate), β-D-
  • β-D-Glucopyranose, 1-thio-, 1-[1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
  • Neoglucobrassicin
  • Neoglucobrassicine
  • Glucopyranose, 1-thio-, 1-(1-methoxyindole-3-acetate), oxime, hydrogen sulfate, β-D-
Found 4 products.