2H-Pyrrol-2-one, 3-[[2-(1,3-dimethyl-1,3-pentadienyl)-1,2,4a,5,6,7,8,8a-octahydro-3,4a,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-5-hydroxy-5-(phenylmethyl)-

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2H-Pyrrol-2-one, 3-[[2-(1,3-dimethyl-1,3-pentadienyl)-1,2,4a,5,6,7,8,8a-octahydro-3,4a,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-5-hydroxy-5-(phenylmethyl)-
• 英文别名: 3-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one
• 化学式: C₃₂H₄₁NO₃
• 分子量: 487.7
• InChiKey: LERBUEGMFSDFOI-HCROWJKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• UCS1025 DERIVATIVES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1227097A1

  公开（公告）日：2002-07-31

  UCS 1025 derivatives having antitumor activity or antibacterial activity which are represented by formula (I): wherein R1 represents hydrogen, lower alkyl, etc.; R2 represents hydrogen, or is combined with R3 to represent a bond, etc., or is combined with R4 to represent -O(C=O)-, etc.; R3 represents hydrogen, etc., or is combined with R2 to represent a bond, etc.; R4 represents hydrogen, etc., or is combined with R2 to represent -(C=O)O-, etc.; R5 represents hydrogen or is combined with R6 to represent a bond; R6 represents hydrogen, etc., or is combined with R5 to represent a bond; R7 represents hydrogen or is combined with R8 to represent =O; R8 represents hydroxy or is combined with R7 to represent =O; ---- represents a single bond or a double bond, and a represents a single bond (two carbon atoms to which a is bound are combined to form a single bond) or an oxygen atom, or pharmaceutically acceptable salts thereof.

  具有抗肿瘤活性或抗菌活性的 UCS 1025 衍生物，由式(I)表示： 其中 R1 代表氢、低级烷基等； R2 代表氢，或与 R3 结合代表键等，或与 R4 结合代表-O(C=O)-等； R3 代表氢等，或与 R2 结合代表键等； R4 代表氢等，或与 R2 结合代表-(C=O)O-等； R5 代表氢，或与 R6 结合代表键等； R6 代表氢等、或与 R5 结合代表键；R7 代表氢或与 R8 结合代表 =O；R8 代表羟基或与 R7 结合代表 =O；---- 代表单键或双键，a 代表单键（与 a 结合的两个碳原子结合形成单键）或氧原子，或其药学上可接受的盐。
• Anti-Inflammatory and Anti-Allergy Extracts from Nettle
  申请人：Alberte Randall S.

  公开号：US20100009927A1

  公开（公告）日：2010-01-14

  The present invention relates in part to nettle extracts that are useful for treating or preventing seasonal allergies, allergic rhinitis, and other inflammatory conditions.
• US6869971B1
  申请人：——

  公开号：US6869971B1

  公开（公告）日：2005-03-22
• [DE] ASCOSALIPYRROLON DERIVATIVES<br/>[EN] ASCOSALIPYRROLONE DERIVATIVES<br/>[FR] DERIVES D'ASCOSALIPYRROLONE
  申请人：BAYER AG

  公开号：WO2001047881A1

  公开（公告）日：2001-07-05

  Die vorliegende Erfindung betrifft Ascosalipyrrolon A und B sowie Derivate davon, der Formel (I): ihre Verwendung als Arzneimittel, Verfahren zu ihrer Herstellung und sie umfassende pharmazeutische Zusammensetzungen, worin R1 ausgewählt wird aus der Gruppe der Formeln R?11, R12 und R13, und R2 (C¿1-C6) Alkyl ist.
• [EN] ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE<br/>[FR] EXTRAITS D'ORTIE ANTI-INFLAMMATOIRES ET ANTIALLERGIQUES
  申请人：HERBALSCIENCE GROUP LLC

  公开号：WO2010009091A2

  公开（公告）日：2010-01-21

  The present invention relates in part to nettle extracts that are useful for treating or preventing seasonal allergies, allergic rhinitis, and other inflammatory conditions.