8-{2,4-dihydroxy-6-methoxy-5-methyl-3-[1-oxo-3-(4-hydroxyphenylpropyl)]phenyl}methylene-3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 8-{2,4-dihydroxy-6-methoxy-5-methyl-3-[1-oxo-3-(4-hydroxyphenylpropyl)]phenyl}methylene-3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
• 英文别名: 8-[[2,4-Dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxy-5-methylphenyl]methyl]-3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one；8-[[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxy-5-methylphenyl]methyl]-3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
• 化学式: C₃₄H₃₀O₁₁
• 分子量: 614.606
• InChiKey: YJFLGWLPIGLOEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  8-{2,4-dihydroxy-6-methoxy-5-methyl-3-[1-oxo-3-(4-hydroxyphenylpropyl)]phenyl}methylene-3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 8-{4-Hydroxy-2,6-dimethoxy-3-[3-(4-methoxy-phenyl)-propionyl]-5-methyl-benzyl}-3,5,7-trimethoxy-2-(4-methoxy-phenyl)-chromen-4-one
  参考文献：
  名称：

  Unusual biflavonoids in the farinose exudate of Pentagramma triangularis

  摘要：

  Three new and unusual biflavonoids, composed of a flavonol and a dihydrochalcone nucleus through a methylene group, were isolated from the farinose exudate of Pentagramma triangularis in addition to a herbacetin dimethyl ester. These structures were determined by means of spectroscopic analysis. Copyright (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(96)00597-3

文献信息

• Abutiloside A, A 26-acylamino-3β,16α-dihydroxy-5α-cholesta-22-one glycoside from Solanum abutiloides
  作者：Rui-Hua Tian、Emi Ohmura、Masaharu Matsui、Toshihiro Noharas

  DOI：10.1016/s0031-9422(96)00592-4

  日期：1997.2

  In addition to solamargine and proto-dioscin, three new steroid glycosides, abutilosides A-C, have been isolated from roots of the Solanaceae Solanum abutiloides. The structure of abutiloside A has been elucidated as 3 beta,16 alpha-dihydroxy-26-isovalerylamino-5 alpha,25 xi H-cholestan-22-one 3-O-[O-beta-D-xylopyranosyl-(1 --> 2)-O-alpha-L-rhamnopyranosyl-(1 --> 4)-beta-D-glucopyranoside]. De-N-acylation of its aglycone yielded solafloridine by 22,N-cyclization. Therefore, 26-aminocholestan-22-one derivatives are considered to be crucial intermediates in steroid biosynthesis. The co-occurrence of the (25R)-steroids soladulcidine, solafloridine and diosgenin together with abutiloside A in roots of S. abutilosides suggests that the configuration of abutiloside A at C-25 will also be R. Copyright (C) 1997 Elsevier Science Ltd.
• Unusual biflavonoids in the farinose exudate of Pentagramma triangularis
  作者：Munekazu Iinuma、Yuko Kakuto、Nobuko Tanida、Toshiyuki Tanaka、Frank A. Lang

  DOI：10.1016/s0031-9422(96)00597-3

  日期：1997.2

  Three new and unusual biflavonoids, composed of a flavonol and a dihydrochalcone nucleus through a methylene group, were isolated from the farinose exudate of Pentagramma triangularis in addition to a herbacetin dimethyl ester. These structures were determined by means of spectroscopic analysis. Copyright (C) 1997 Published by Elsevier Science Ltd.