methyl 2,4-dihydroxy-6-tridecylbenzoate | 62071-08-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2,4-dihydroxy-6-tridecylbenzoate
• 英文别名: Methyl 2,4-dihydroxy-6-tridecylbenzoate
• CAS: 62071-08-3
• 化学式: C₂₁H₃₄O₄
• 分子量: 350.499
• InChiKey: HKWOGFSJSWHISJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  integracin E 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以2 mg的产率得到(S)-5-(8-hydroxyundecyl)benzene-1,3-diol
  参考文献：
  名称：

  A new dimeric alkylresorcinol from the stem barks of Swintonia floribunda (Anacardiaceae)

  摘要：

  From an EtOAc-soluble fraction of the stem barks of Swintonia floribunda (Anacardiaceae), one new dimeric alkylresorcinol named integracin E (1), together with 4 known compounds (2-5) were isolated. Their chemical structures were elucidated based on the spectroscopic data interpretation. The absolute configuration of 1 was determined by the specific rotation analysis of its acid-catalyzed hydrolysis product. Compound 1 showed potent tyrosinase inhibitory activity with an IC50 value of 48.2 mu M.

  DOI：

  10.1080/14786419.2018.1509329

文献信息

• A new dimeric alkylresorcinol from the stem barks of <i>Swintonia floribunda</i> (Anacardiaceae)
  作者：Phu H. Dang、Linh T. T. Nguyen、Hue T. T. Nguyen、Tho H. Le、Truong N. V. Do、Hai X. Nguyen、Nghia D. Le、Mai T. T. Nguyen、Nhan T. Nguyen

  DOI：10.1080/14786419.2018.1509329

  日期：2019.10.18

  From an EtOAc-soluble fraction of the stem barks of Swintonia floribunda (Anacardiaceae), one new dimeric alkylresorcinol named integracin E (1), together with 4 known compounds (2-5) were isolated. Their chemical structures were elucidated based on the spectroscopic data interpretation. The absolute configuration of 1 was determined by the specific rotation analysis of its acid-catalyzed hydrolysis product. Compound 1 showed potent tyrosinase inhibitory activity with an IC50 value of 48.2 mu M.