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  3. HIT212665033
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HIT212665033
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HIT212665033
  • HIT ID:HIT212665033
  • Cas No:38226-84-5
  • 常用名:Filixic acid ABA
  • 别名:绵马酸ABA
  • IUPAC:2-acetyl-6-({3-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
    IUPAC:2-acetyl-6-({3-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
  • InChI key:ABMAWOVWVRXUCA-UHFFFAOYSA-N
  • 分子式:C32H36O12
  • 分子量:612.628
  • 氢键供体数 (HBD):7
  • 氢键受体数 (HBA):12
  • LogP:4.358821
  • SMILES:CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:10,29,t:17,36|
    SMILES:CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:10,29,t:17,36|
  • Filixic acid ABA exhibits inhibitory effects on neuraminidase of influenza virus H5N1 with IC50 as 29.57 ± 2.48 μM, it may have anti-influenza virus activity.
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  • 供应商
    TargetMolSC
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    ¥ 530.00
    1

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