10-methoxy-19α-methyl-(20α)-18-oxa-yohimb-16-ene-16-carboxylic acid methyl ester | 482-91-7

• 物质功能分类: 天然产物 - 生物碱
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 育亨宾生物碱
• 英文名称: 10-methoxy-19α-methyl-(20α)-18-oxa-yohimb-16-ene-16-carboxylic acid methyl ester
• 英文别名: (19S)-17,19-epoxy-10-methoxy-(20αH)-coryn-16-ene-16-carboxylic acid methyl ester；Aricin；heterophylline；cinchovatine；aricine；Methyl 7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
• CAS: 482-91-7；549-74-6；16812-97-8；68780-82-5；132016-17-2
• 化学式: C₂₂H₂₆N₂O₄
• 分子量: 382.459
• InChiKey: DTDADHMBRZKXSC-UHFFFAOYSA-N

物化性质

• 比旋光度：
  D20 -91° (c = 1.4 in chloroform); D20 -63° (c = 1.5 in pyridine); D20 -57° (ethanol)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• INDOLE ALKALOID COMPOUNDS AS MELANOGENESIS PROMOTERS AND USES THEREOF
  申请人：Orlow Seth J.

  公开号：US20130302264A1

  公开（公告）日：2013-11-14

  Provided are indole alkaloid compounds of formula I, for example, pubescine, and the use of such compounds and compositions thereof to promote (e.g., enhance) melanogenesis and pigmentation. Also provided are plant extracts containing a compound of formula I, for example, pubescine, and the use of such a plant extract to promote (e.g., enhance) melanogenesis and pigmentation. The compound or plant extract may be prepared as pharmaceutical and cosmetic compositions, and may be used for the prevention and treatment of conditions that are related to aberrant melanogenesis activity.