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  3. HIT212671670
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HIT212671670
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HIT212671670
  • HIT ID:HIT212671670
  • Cas No:
  • 常用名:Vitexin arginine
  • IUPAC:(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
    IUPAC:(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
  • InChI key:UYXWSGOMVDZQBF-ZKSSNEHASA-N
  • 分子式:C27H34N4O12
  • 分子量:606.585
  • 氢键供体数 (HBD):7
  • 氢键受体数 (HBA):10
  • LogP:-0.050631773
  • SMILES:[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O.[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8])-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1
    SMILES:[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O.[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8])-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1
  • Vitexin arginine is a natural c-glycosylated flavone isolated from various medicinal plants species,with anti-oxidant, anti-cancer, anti-inflammatory, anti-hyperalgesic, and neuroprotective effects.
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