4-Methylumbelliferyl acetate (BioDeep_00000002788)

 

Secondary id: BioDeep_00000405714

natural product human metabolite Volatile Flavor Compounds


代谢物信息卡片


7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one

化学式: C12H10O4 (218.057906)
中文名称: 7-乙酰氧基-4-甲基香豆素
谱图信息: 最多检出来源 Viridiplantae(plant) 4.62%

分子结构信息

SMILES: CC(=O)OC1=CC=C2C(C)=CC(=O)OC2=C1
InChI: InChI=1/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3

描述信息

Isolated from fenugreek (Trigonella foenum-graecum). 4-Methylumbelliferyl acetate is found in herbs and spices, green vegetables, and fenugreek.
4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum).

同义名列表

18 个代谢物同义名

7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one; 7-Acetoxy-4-methyl-2H-1-benzopyran-2-one; 4-methyl-2-oxo-2H-chromen-7-yl acetate; 7-(Acetyloxy)-4-methyl-2-benzopyrone; beta-Methylumbelliferyl acetic acid; 4-Methylumbelliferyl acetic acid; Β-methylumbelliferyl acetic acid; b-Methylumbelliferyl acetic acid; 7-Acetoxy-4-methylchromen-2-one; beta-Methylumbelliferyl acetate; 4-Methyl-7-acetyloxy coumarin; b-Methylumbelliferyl acetate; 4-Methylumbelliferyl acetate; Β-methylumbelliferyl acetate; 7-Acetoxy-4-methylcoumarin; 4-MUA; 7AMC; 4-Methylumbelliferyl acetate



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

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 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

  • Kayoko Ohura, Yoshiyuki Igawa, Maori Tanaka, Kana Matsumoto, Akiko Kasahara, Naoya Wada, Kazuishi Kubota, Yasuhiro Uno, Teruko Imai. Identification and Characterization of a New Carboxylesterase 2 Isozyme, mfCES2C, in the Small Intestine of Cynomolgus Monkeys. Drug metabolism and disposition: the biological fate of chemicals. 2020 03; 48(3):146-152. doi: 10.1124/dmd.119.089011. [PMID: 31836607]
  • Usha Singh, Ajit Kumar, Rajesh Sinha, Sushma Manral, Shvetambri Arora, Sant Ram, Rakesh K Mishra, Prachi Gupta, Surendra K Bansal, Ashok K Prasad, Shyam Biswal, Virinder S Parmar, Hanumantharao G Raj. Calreticulin transacetylase catalyzed modification of the TNF-alpha mediated pathway in the human peripheral blood mononuclear cells by polyphenolic acetates. Chemico-biological interactions. 2010 May; 185(3):263-70. doi: 10.1016/j.cbi.2010.02.025. [PMID: 20188080]
  • Toshiyuki Harada, Yoshiaki Nakagawa, Randy M Wadkins, Philip M Potter, Craig E Wheelock. Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. Bioorganic & medicinal chemistry. 2009 Jan; 17(1):149-64. doi: 10.1016/j.bmc.2008.11.008. [PMID: 19062296]
  • Sarvesh Kumar, Brajendra K Singh, Neerja Kalra, Vineet Kumar, Ajit Kumar, Ashok K Prasad, Hanumantharao G Raj, Virinder S Parmar, Balaram Ghosh. Novel thiocoumarins as inhibitors of TNF-alpha induced ICAM-1 expression on human umbilical vein endothelial cells (HUVECs) and microsomal lipid peroxidation. Bioorganic & medicinal chemistry. 2005 Mar; 13(5):1605-13. doi: 10.1016/j.bmc.2004.12.013. [PMID: 15698778]
  • A A Frimer, G Strul, J Buch, H E Gottlieb. Can superoxide organic chemistry be observed within the liposomal bilayer?. Free radical biology & medicine. 1996; 20(6):843-52. doi: 10.1016/0891-5849(95)02148-5. [PMID: 8728033]
  • T Philipp, A M Sharma, H M Thiede, A Kribben. Sympathetic nervous activity and noradrenaline reactivity during angiotensin converting enzyme inhibition. The American journal of cardiology. 1987 Apr; 59(10):55D-59D. doi: 10.1016/0002-9149(87)90054-3. [PMID: 3034034]