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HIT218679427
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HIT218679427
  • HIT ID:HIT218679427
  • Cas No:
  • 常用名:Bergamjuicin
  • IUPAC:5-[(3,4-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
    IUPAC:5-[(3,4-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
  • InChI key:KQUASHIVFXQCNK-UHFFFAOYSA-N
  • 分子式:C39H50O23
  • 分子量:886.806
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC1OC(OC2C(O)C(O)C(COC(=O)CC(C)(O)CC(O)=O)OC2Oc2cc(O)c3C(=O)CC(Oc3c2)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1O
    SMILES:CC1OC(OC2C(O)C(O)C(COC(=O)CC(C)(O)CC(O)=O)OC2Oc2cc(O)c3C(=O)CC(Oc3c2)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1O
  • Bergamjuicin, a flavonoid extracted from Citrus grandis L. Osbeck, exhibits cellular antioxidant activity (CAA) and oxygen radical absorption capacity (ORAC).
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