5-O-Methylembelin (BioDeep_00000397444)

 

Secondary id: BioDeep_00000008054

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl-

化学式: C18H28O4 (308.19874880000003)
中文名称: 2-羟基-5-甲氧基-3-十一烷基[1,4]苯醌
谱图信息: 最多检出来源 Homo sapiens(lipidomics) 1.26%

分子结构信息

SMILES: C1(=CC(=O)C(=C(C1=O)CCCCCCCCCCC)O)OC
InChI: InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3

描述信息

5-O-methyl embelin is a member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. It has a role as a metabolite, a hepatitis C protease inhibitor, an antileishmanial agent and an antineoplastic agent. It is an enol ether and a member of monohydroxy-1,4-benzoquinones. It is functionally related to an embelin.
5-O-Methylembelin is a natural product found in Lysimachia punctata, Embelia schimperi, and other organisms with data available.
5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle).
Constituent of Myrsine africana (cape myrtle)
5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].

同义名列表

12 个代谢物同义名

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl-; 5-METHOXY-2-OXIDANYL-3-UNDECYL-CYCLOHEXA-2,5-DIENE-1,4-DIONE; 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione; 2-Hydroxy-5-methoxy-3-undecyl-[1,4]benzoquinone; 2-hydroxy-5-methoxy-3-undecyl[1,4]benzoquinone; 2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone; ALPHA-ACETAMIDO-2-METHYLCINNAMICACID; 5-O-methyl embelin; 5-O-Methylembelin; UNII-4H3R9623BA; 4H3R9623BA; 5-O-Methylembelin



数据库引用编号

19 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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49 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Renata María Spina, Esteban Lozano, Patricia Andrea Barrera, María Belén Agüero, Alejandro Tapia, Gabriela Egly Feresin, Miguel Ángel Sosa. Antiproliferative effect and ultrastructural alterations induced by 5-O-methylembelin on Trypanosoma cruzi. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2018 Jul; 46(?):111-118. doi: 10.1016/j.phymed.2018.04.032. [PMID: 30097111]
  • Fanglei Chen, Guiping Zhang, Zebin Hong, Zhonghui Lin, Min Lei, Mingdong Huang, Lihong Hu. Design, synthesis, and SAR of embelin analogues as the inhibitors of PAI-1 (plasminogen activator inhibitor-1). Bioorganic & medicinal chemistry letters. 2014 May; 24(10):2379-82. doi: 10.1016/j.bmcl.2014.03.045. [PMID: 24731276]
  • Minjuan Xu, Zhiwei Deng, Min Li, Jun Li, Hongzheng Fu, Peter Proksch, Wenhan Lin. Chemical constituents from the mangrove plant, Aegiceras corniculatum. Journal of natural products. 2004 May; 67(5):762-6. doi: 10.1021/np030477z. [PMID: 15165134]
  • E Gomez, O de la Cruz-Giron, A A de la Cruz, B S Joshi, V Chittawong, D H Miles. Toxicants from mangrove plants, V. Isolation of the piscicide, 2-hydroxy-5-methoxy-3-undecyl-1,4 benzoquinone (5-O-methylembelin) from Aegiceras corniculatum. Journal of natural products. 1989 May; 52(3):649-51. doi: 10.1021/np50063a031. [PMID: 2778454]