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SMA76a

中文名称
——
中文别名
——
英文名称
SMA76a
英文别名
3,8,10,11-tetrahydroxy-1-methyl-12H-benzo[b]xanthen-12-one;pre-bikaverin;3,8,10,11-tetrahydroxy-1-methylbenzo[b]xanthen-12-one
SMA76a化学式
CAS
——
化学式
C18H12O6
mdl
——
分子量
324.29
InChiKey
NHQTZEGDZSRZIW-UHFFFAOYSA-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):
    3.7
  • 重原子数:
    24
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.06
  • 拓扑面积:
    107
  • 氢给体数:
    4
  • 氢受体数:
    6

反应信息

  • 作为产物:
    描述:
    参考文献:
    名称:
    Enzymatic Synthesis of Aromatic Polyketides Using PKS4 from Gibberella fujikuroi
    摘要:
    Iterative fungal polyketide synthases (PKSs) use a unique set of biochemical rules in the synthesis of complex polyketides. These rules dictate polyketide starter unit selection, chain length control, and post-PKS processing. We have demonstrated the E. coli expression and reconstitution of an iterative, unreduced fungal PKS. The Gibberella fujikuroi PKS4 was expressed at high levels, purified to homogeneity, and functionally characterized. In the presence of malonyl-CoA, PKS4 was able to synthesize the nonaketide 3,8,10,11-tetrahydroxy-l-methyl-12H -benzo[b]xanthen12-one (2) as the predominant product. PKS4 selectively used octanoyl-CoA as the starter unit and synthesized two novel benzopyrone-containing polyketides. Our work sets the stage for a comprehensive characterization of the intact PKS and its domairis and offers significant opportunity toward the enzymatic synthesis of additional compounds.
    DOI:
    10.1021/ja074865p
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文献信息

  • Enzymatic Synthesis of Aromatic Polyketides Using PKS4 from <i>Gibberella fujikuroi</i>
    作者:Suzanne M. Ma、Jixun Zhan、Kenji Watanabe、Xinkai Xie、Wenjun Zhang、Clay C. Wang、Yi Tang
    DOI:10.1021/ja074865p
    日期:2007.9.1
    Iterative fungal polyketide synthases (PKSs) use a unique set of biochemical rules in the synthesis of complex polyketides. These rules dictate polyketide starter unit selection, chain length control, and post-PKS processing. We have demonstrated the E. coli expression and reconstitution of an iterative, unreduced fungal PKS. The Gibberella fujikuroi PKS4 was expressed at high levels, purified to homogeneity, and functionally characterized. In the presence of malonyl-CoA, PKS4 was able to synthesize the nonaketide 3,8,10,11-tetrahydroxy-l-methyl-12H -benzo[b]xanthen12-one (2) as the predominant product. PKS4 selectively used octanoyl-CoA as the starter unit and synthesized two novel benzopyrone-containing polyketides. Our work sets the stage for a comprehensive characterization of the intact PKS and its domairis and offers significant opportunity toward the enzymatic synthesis of additional compounds.
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