2',3',4',5,5',6,7-heptamethoxyflavone | 87402-97-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2',3',4',5,5',6,7-heptamethoxyflavone
• 英文别名: Agehoustin B；Agehoustin-B；5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
• CAS: 87402-97-9
• 化学式: C₂₂H₂₄O₉
• 分子量: 432.427
• InChiKey: CNWLLDUECPZGHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100 °C
• 沸点：
  602.2±55.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2',3',4',5,5',6,7-heptamethoxyflavone 在 盐酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 2',3',4',5,5',7,8-heptamethoxyflavone
  参考文献：
  名称：

  来自 Ageratum corymbosum 的黄酮类化合物

  摘要：

  摘要 对 Ageratum corymbosum 新藏品的研究导致分离出三种新的黄酮类化合物，4'-羟基-5,6,7,3'-四甲氧基黄烷酮，5-羟基-6,7,2',3',4' ,5'-六甲氧基黄酮和3'-羟基-5,6,7,2',4',5'-六甲氧基黄酮，分别命名为agecorynins E、F和G。它们的结构是通过光谱方法和化学转化建立的。5-Hydroxy-7,8,2',3',4',5'-六甲氧基黄酮（isoagecorynin F），从agehoustin B 获得，也有报道。

  DOI：

  10.1016/0031-9422(92)83647-h
• 作为产物：
  描述：

  1,2,3,4-四甲氧基苯 在 氢氧化钾 、 selenium(IV) oxide 作用下， 以 乙醇 、 异戊醇 为溶剂， 反应 144.0h， 生成 2',3',4',5,5',6,7-heptamethoxyflavone
  参考文献：
  名称：

  Bhardwaj, D. K.; Chand, Gyan; Jain, Anita, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 1163 - 1164

  摘要：

  DOI：

文献信息

• Synthetic studies on the flavone derivatives. XIII. Synthesis of flavones with tetramethoxyl groups in ring B.
  作者：MUNEKAZU IINUMA、TOSHIYUKI TANAKA、SHIN MATSUURA

  DOI：10.1248/cpb.32.3354

  日期：——

  2', 3', 4', 5, 5', 6, 7, 8-Octamethoxy-(Ia) and 2', 3', 4', 5, 5', 6, 7-heptamethoxyflavone (IIa) and their position isomers substituted with tetramethoxyl groups in ring B were synthesized to confirm the structures of agehoustin A and agehoustin B isolated from Ageratum houstonianum. The characteristics of the synthesized flavones were investigated by spectroscopic methods.

  合成了2', 3', 4', 5, 5', 6, 7, 8-八甲氧基-(Ia)和2', 3', 4', 5, 5', 6, 7-七甲氧基黄酮(IIa)及其位置异构体，并用四甲氧基基团取代环B，以确认从Ageratum houstonianum分离出的agehoustin A和agehoustin B的结构。通过光谱方法研究了合成黄酮的特征。
• Two polymethoxyflavones from Ageratum houstonianum
  作者：L. Quijano、J.S. Calderón、F. Gómez、T. Ríos

  DOI：10.1016/0031-9422(80)85078-3

  日期：1980.1

  Abstract Besides agecorynin C, eupalestin and lucidin dimethyl ether, two new highly oxygenated flavones were isolated from Ageratum houstonianum . Their structures were established by spectroscopic and degradative evidence as 5, 6, 7, 8, 2′, 3′, 4′, 5′-octamethoxyflavone and 5, 6, 7, 2′, 3′, 4′, 5′-heptamethoxyflavone.

  摘要 除了agecorynin C、eupalestin 和lucidin 二甲醚外，还从Ageratum houstonianum 中分离到了两种新的高氧化黄酮。它们的结构通过光谱和降解证据确定为 5, 6, 7, 8, 2', 3', 4', 5'-八甲氧基黄酮和 5, 6, 7, 2', 3', 4', 5'-七甲氧基黄酮。
• BHARDWAJ, D. K.;CHAND, GYAN;JAIN, A.;SRIVASTAVA, NAGESH;SHARMA, A. K., INDIAN J. CHEM., 25,(1986) N 11, 1163-1164
  作者：BHARDWAJ, D. K.、CHAND, GYAN、JAIN, A.、SRIVASTAVA, NAGESH、SHARMA, A. K.

  DOI：——

  日期：——
• [EN] COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS ET MÉTABOLIQUES
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2020232255A1

  公开（公告）日：2020-11-19

  Compounds described herein may be used for the treatment of neurodegenerative diseases linked to protein misfolding, including prion diseases, Alzheimers' disease, Parkinson's disease (PD) and amyotrophic lateral sclerosis (ALS), and also other neurodegenerative, degenerative, metabolic and ischemic conditions. Indeed, NAD metabolism impairment is also a critical feature in brain ischemia/reperfusion injury, Wallerian degeneration, kidney failure, multiple sclerosis, aging, and metabolic disorders such as diabetes mellitus. Therapies that elevate or stabilize NAD levels may thus have broad potential for treating many severely debilitating neurological and metabolic conditions. Evidence is provided herein with compounds from 8 lead series for NAD restoring properties and for therapeutic efficacy in cellular and/or animal models of prion disease, PD and ALS.
• Flavonoids from Ageratum corymbosum
  作者：Leovigildo Quijano、Federico Gómez-Garibay、Guillermina Garcia-Perez、Tirso Rios

  DOI：10.1016/0031-9422(92)83647-h

  日期：1992.8

  Abstract Investigation of a new collection of Ageratum corymbosum resulted in the isolation of three new flavonoids, 4′-hydroxy-5,6,7,3′-tetramethoxyflavanone, 5-hydroxy-6,7,2′,3′,4′,5′-hexamethoxyflavone and 3′-hydroxy-5,6,7,2′,4′,5′-hexamethoxyflavone, named agecorynins E, F and G, respectively. Their structures were established by spectral methods and chemical transformations. 5-Hydroxy-7,8,2′,3′

  摘要 对 Ageratum corymbosum 新藏品的研究导致分离出三种新的黄酮类化合物，4'-羟基-5,6,7,3'-四甲氧基黄烷酮，5-羟基-6,7,2',3',4' ,5'-六甲氧基黄酮和3'-羟基-5,6,7,2',4',5'-六甲氧基黄酮，分别命名为agecorynins E、F和G。它们的结构是通过光谱方法和化学转化建立的。5-Hydroxy-7,8,2',3',4',5'-六甲氧基黄酮（isoagecorynin F），从agehoustin B 获得，也有报道。