千层纸素A | 480-11-5

中文名称:千层纸素A
英文名称:Oroxylin A
CAS No.:480-11-5
分子式:C16H12O5 分子量:284.2635
简介
千层纸素A是一种化学物质,分子式C16H12O5。
名称和标识符
  • InChIKey:LKOJGSWUMISDOF-UHFFFAOYSA-N
  • Inchi:1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
  • SMILES:O1C(C2C([H])=C([H])C([H])=C([H])C=2[H])=C([H])C(C2C(=C(C(=C([H])C1=2)O[H])OC([H])([H])[H])O[H])=O
中文别名
  • 千层纸素A
  • 木蝴蝶素A
  • 千层纸素A(木蝴蝶素)
  • 千层纸素
  • 千层纸素(标准品)
  • 千层纸素A,Oroxylia A,植物提取物,标准品,对照品
  • 千层纸素A对照品
  • 远华蟾蜍精
  • 千层纸素A,Oroxylin A,木蝴蝶素A
  • 千层纸素A,木蝴蝶素A
  • 千层纸素 A
英文别名
  • Oroxylin
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-
  • Oroxylin A
  • 4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-phenyl
  • 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Dihydroxy-6-methoxyflavone
  • 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
  • 5,7-dihydroxy-6-methoxyflavone
  • 6-methoxy-5,7-dihydroxyflavone
  • 6-Methoxybaicalein
  • baicalein 6-methyl ether
  • oroxyllin-A
  • 5,7-Dihydroxy-6-methoxyflavone
  • 6-Methoxybaicalein
  • Oroxylin-A
  • 5,7-dihydroxy-6-methoxy-2-phenyl-4H-chromen-4-one
  • 53K24Z586G
  • Oroxylin A,
计算特性
  • 精确分子量:284.06800
  • 氢键供体数量:2
  • 氢键受体数量:5
  • 可旋转化学键数量:2
  • 同位素质量:284.068473
  • 重原子数量:21
  • 复杂度:426
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:0
  • 不确定化学键立构中心数量:0
  • 共价键单元数量:1
  • 疏水参数计算参考值(XlogP):2.1
  • 拓扑分子极性表面积:76
  • 分子量:284.26
实验特性
  • LogP:2.87980
  • PSA:79.90000
  • 折射率:1.6200 (estimate)
  • 沸点:540.9℃/760mmHg
  • 熔点:195-197 ºC
  • 闪点:207.4°C
  • 颜色与性状:Yellow powder
  • 密度:1.420
国际标准相关数据
  • MDL:MFCD02259441
相关文献
  • 1. Polyphenols of Chinese skullcap roots: from chemical profiles to anticancer effects Lingchong Wang,Dapeng Zhang,Ning Wang,Sha Li,Hor-Yue Tan,Yibin Feng RSC Adv. 2019 9 25518
  • 2. 290. The constitution of oroxylin-A. Part II. Attempted synthesis of oroxylin-A and the synthesis of wogonin R. C. Shah,C. R. Mehta,T. S. Wheeler J. Chem. Soc. 1938 1555
  • 3. 131. The constitution of oroxylin-A, a yellow colouring matter from the root-bark of Oroxylum indicum, vent R. C. Shah,C. R. Mehta,T. S. Wheeler J. Chem. Soc. 1936 591
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