3,4-dihydro-3,9-dihydroxy-6,8-dimethoxy-3-methylanthracen-1(2H)-one | 38371-03-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3,4-dihydro-3,9-dihydroxy-6,8-dimethoxy-3-methylanthracen-1(2H)-one
• 英文别名: 8-methyltorosachrysone；Asperflavin-6-O-methylether；3,9-Dihydroxy-6,8-dimethoxy-3-methyl-2,4-dihydroanthracen-1-one
• CAS: 38371-03-8
• 化学式: C₁₇H₁₈O₅
• 分子量: 302.327
• InChiKey: SNXBVENZIZULGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  torosachrysone 8-β-D-gentiobioside 在 β-D-gucosidase 、 水 作用下， 以 氯仿 为溶剂， 反应 10.0h， 生成 3,4-dihydro-3,9-dihydroxy-6,8-dimethoxy-3-methylanthracen-1(2H)-one
  参考文献：
  名称：

  Torosachrysone and physcion gentiobiosides from the seeds of Cassia torosa.

  摘要：

  Torosachrysone 8-β-D-龙胆二糖苷 (1) 和大黄素甲醚 8-β-D-龙胆二糖苷 (2) 与原儿茶酸分别从 Cassia torosa CAVANILLES 的未成熟和成熟种子中分离出来。 1的结构是根据化学和光谱研究结果确定的。此外，还讨论了 torosachrysone 和相关化合物的 13C 核磁共振谱。

  DOI：

  10.1248/cpb.32.3436

文献信息

• New metabolic products of Aspergillus flavus. Part II. Asperflavin, anhydroasperflavin, and 5,7-dihydroxy-4-methylphthalide
  作者：John Frederick Grove

  DOI：10.1039/p19720002406

  日期：——

  Asperflavin, a yellow pigment from the culture filtrate of an entomogenous strain of Aspergillus flavus, is shown to be (+)-3,4-dihydro-3,6,9-trihydroxy-8-methoxy-3-methylanthracen-1 (2H)-one (I; R = H). New minor metabolic products isolated were anhydroasperflavin (1,6-dihydroxy-8-methoxy-3-methyl-9-anthrone)(III; R1= R3= H, R2= Me) and a lactone, shown to be 5,7-dihydroxy-4-methylphthalide (VIII;

  黄曲霉毒素是黄曲霉属昆虫致病菌株培养滤液中的黄色颜料，显示为（+）-3,4-二氢-3,6,9-三羟基-8-甲氧基-3-甲基蒽-1（2 H）一（I； R = H）。分离出的新的次要代谢产物是脱水灰黄素（1,6-二羟基-8-甲氧基-3-甲基-9-蒽酮）（III； R 1 = R 3 = H，R 2 = Me）和内酯，显示为5 ，7-二羟基-4-甲基邻苯二甲酰亚胺（VIII； R 1＝ R 2＝ H）。黄色的孢子头含有已知的真菌色素曲霉精（XII； R = nC 5 H 11 ·CH：CH·）和黄霉素（XII； R = nC 7 H 15）的混合物。
• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.
• Torosachrysone and physcion gentiobiosides from the seeds of Cassia torosa.
  作者：SUSUMU KITANAKA、MICHIO TAKIDO

  DOI：10.1248/cpb.32.3436

  日期：——

  Torosachrysone 8-β-D-gentiobioside (1) and physcion 8-β-D-gentiobioside (2) were isolated along with protocatechuic acid from the unripe and ripe seeds of Cassia torosa CAVANILLES, respectively. The structure of 1 was established on the basis of chemical and spectroscopic findings. In addition, the 13C nuclear magnetic resonance spectra of torosachrysone and related compounds are discussed.

  Torosachrysone 8-β-D-龙胆二糖苷 (1) 和大黄素甲醚 8-β-D-龙胆二糖苷 (2) 与原儿茶酸分别从 Cassia torosa CAVANILLES 的未成熟和成熟种子中分离出来。 1的结构是根据化学和光谱研究结果确定的。此外，还讨论了 torosachrysone 和相关化合物的 13C 核磁共振谱。