(E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(E)-3-carboxybut-2-enyl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid | 176260-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: (E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(E)-3-carboxybut-2-enyl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid
• CAS: 176260-42-7
• 化学式: C₃₈H₄₄O₁₂
• 分子量: 692.7
• InChiKey: DQBVXDMPCDAQGS-YOWCJFHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  50
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  186
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• Pestalotiopsis microsporia isolates and compounds derived therefrom
  申请人：——

  公开号：US20040009573A1

  公开（公告）日：2004-01-15

  The present invention relates to the novel isolated 12-30 strain of Pestalotiopsis microspora capable of producing novel antioxidant and antimycotic agents. The present invention also relates to the novel isolated 3,5,7 trisubstituted isobenzofuranone and derivatives thereof, methods of isolating the novel isobenzofuranone from cultures P. microspora 12-30, and to novel uses of the compound as an antioxidant and antimycotic agent. The present invention further relates to a novel 1,5,7 trisubstituted 1,3-dihydroisobenzofuran and derivatives thereof, methods of isolating this novel compound from cultures of Pestalotiopsis microspora 12-30, and to uses thereof.

  本发明涉及分离出的 12-30 株新型 Pestalotiopsis microspora 本发明涉及能够产生新型抗氧化剂和抗霉菌剂的新型分离菌株 Pestalotiopsis microspora 12-30。本发明还涉及新型分离的 3,5,7-三取代异苯并呋喃酮及其衍生物、从微孢子虫培养物中分离新型异苯并呋喃酮的方法。 P. microspora 12-30 中分离新型异苯并呋喃酮的方法，以及该化合物作为抗氧化剂和抗真菌剂的新用途。本发明进一步涉及一种新型的 1，5，7 三取代的 1，3-二氢异苯并呋喃及其衍生物，从小孢子虫 Pestalotiopsis 的培养物中分离这种新型化合物的方法。 Pestalotiopsis microspora 12-30 及其用途。
• HEXADEPSIPEPTIDE ANALOGUES AS ANTICANCER COMPOUNDS
  申请人：Piramal Enterprises Limited

  公开号：EP2847212A1

  公开（公告）日：2015-03-18
• DIPEPTIDE DERIVATIVE FOR THE TREATMENT OF CANCER
  申请人：Deshmukh Sunil Kumar Jaiwant Rao

  公开号：US20130130992A1

  公开（公告）日：2013-05-23

  This invention relates to purified compound of formula (1). The invention includes all isomeric forms and all tautomeric forms of the compound of formula (1) and pharmaceutically acceptable salts thereof. The present invention further relates to processes for the production of the compound of formula (1) by fermentation of the fungal strain of sterile mycelium (PM0509732/MTCC5544) and to pharmaceutical compositions containing the compound as active ingredient and its use in medicines for treatment of cancer.
• US7192939B2
  申请人：——

  公开号：US7192939B2

  公开（公告）日：2007-03-20
• US9475842B2
  申请人：——

  公开号：US9475842B2

  公开（公告）日：2016-10-25