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benzene-1,2-diol;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

中文名称
——
中文别名
——
英文名称
benzene-1,2-diol;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
英文别名
——
benzene-1,2-diol;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid化学式
CAS
——
化学式
C15H14O6
mdl
——
分子量
290.27
InChiKey
DXHQUMUWFKOZEQ-VEELZWTKSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.29
  • 重原子数:
    21
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    118
  • 氢给体数:
    5
  • 氢受体数:
    6

文献信息

  • [EN] BIOSYNTHESIS OF O-METHYLATED PHENOLIC COMPOUNDS<br/>[FR] BIOSYNTHÈSE DE COMPOSÉS PHÉNOLIQUES O-MÉTHYLÉS
    申请人:EVIAGENICS S A
    公开号:WO2014128252A1
    公开(公告)日:2014-08-28
    The invention provides for a process for biosynthesis of an O-methylated compound by biotransforming a compound of Formula I into an O-methylated compound, wherein R1 is H, CHO, COOH, C1-6alkyl-COOH, or C2-6 alkenyl-COOH; R2 is H, OH, or OCH3; which process comprises the steps: a) providing a recombinant host cell comprising i) at least one first heterologous gene encoding a first enzyme which is a 4-O-1 methyltransferase operable to biotransform the compound into a 4-O-methylated compound; and ii) optionally, if R2 is OH, at least one second heterologous gene encoding a second enzyme which is a 3-O-methyltransferase, wherein said first and second enzymes are operable to biotransform the compound into a 3,4-O-dimethylated compound; b) cultivating said host cell to express said first and optionally said second enzyme; c) providing the compound and biotransforming the compound into a 4-O-methylated compound or if R2 is OH, into a 3,4-O-dimethylated compound.
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