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Acetic acid 7-acetoxy-3-[3,4-diacetoxy-5-(3-methyl-but-2-enyl)-phenyl]-4-oxo-4H-chromen-5-yl ester | 116709-72-9

中文名称
——
中文别名
——
英文名称
Acetic acid 7-acetoxy-3-[3,4-diacetoxy-5-(3-methyl-but-2-enyl)-phenyl]-4-oxo-4H-chromen-5-yl ester
英文别名
[5-Acetyloxy-3-[3,4-diacetyloxy-5-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl] acetate
Acetic acid 7-acetoxy-3-[3,4-diacetoxy-5-(3-methyl-but-2-enyl)-phenyl]-4-oxo-4H-chromen-5-yl ester化学式
CAS
116709-72-9
化学式
C28H26O10
mdl
——
分子量
522.508
InChiKey
BQFVDJYAJFCDNI-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):
    4.1
  • 重原子数:
    38
  • 可旋转键数:
    11
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    132
  • 氢给体数:
    0
  • 氢受体数:
    10

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • Two new flavonoids and other constituents in licorice root. Their relative astringency and radical scavenging effects.
    作者:TSUTOMU HATANO、HARUMI KAGAWA、TAEKO YASUHARA、TAKUO OKUDA
    DOI:10.1248/cpb.36.2090
    日期:——
    Four compounds, including two new flavonoids, were isolated from Si-pei licorice (licorice from the north-western region of China). The structures of the two new flavonoids, named glycyrrhisoflavanone and glycyrrhisoflavone, were (S)-7, 8'-dihydroxy-2', 2'-dimethyl-5-methoxy-[3, 6'-bi-2H-1-benzopyran]-4(3H)-one (6) and 3-[3, 4-dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5, 7-dihydroxy-4H-1-benzopyran-4-one (9). Glycyrrhisoflavone was found to be one of the tannic substances by the measurement of the binding activity to hemoglobin (relative astringency). Licochalcone B (1) was isolated from the fraction which showed the highest binding activity to hemoglobin among the fractions obtained by centrifugal partition chromatography of the extract of Sinkiang licorice (licorice from Sinkiang in China). Licochalcone B also showed the highest activity as a radical scavenger in the experiment using 1, 1-diphenyl-2-picrylhydrazyl radical, among ten tested compounds obtained from several licorices. The order of the radical scavenging effects was the same as the order of the inhibitory effects on the 5-lipoxygenase-dependent peroxidation in arachidonate metabolism [licochalcone B (1)>licochalcone A (3)>>isoliquiritigenin (14)>liquiritigenin (13)].
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