5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one (BioDeep_00000000049)

 

Secondary id: BioDeep_00000266975, BioDeep_00000859497

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds


代谢物信息卡片


2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI)

化学式: C14H12O3 (228.0786402)
中文名称: 去甲氧基醉椒素
谱图信息: 最多检出来源 Viridiplantae(otcml) 3.17%

分子结构信息

SMILES: c1cccc(c1)/C=C/c1oc(=O)cc(c1)OC
InChI: InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

描述信息

5,6-Dehydrokawain is an aromatic ether and a member of 2-pyranones.
Desmethoxyyangonin is a natural product found in Alpinia blepharocalyx, Alpinia rafflesiana, and other organisms with data available.
See also: Piper methysticum root (part of).
5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in beverages. 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damag
Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage
Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.
Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.

同义名列表

38 个代谢物同义名

2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI); 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-; 2H-PYRAN-2-ONE, 4-METHOXY-6-((1E)-2-PHENYLETHENYL)-; 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-; 2H-Pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]-; 4-Methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one; 4-Methoxy-6-(2-phenylethenyl)-(E)-2H-Pyran-2-one; 4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one; (E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one; 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-; 4-methoxy-6-[(E)-2-phenylvinyl]-2H-pyran-2-one; 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one; 4-methoxy-6-(2-phenylethenyl)-2h-pyran-2-one; 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one; 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-; Desmethoxyyangonin, analytical standard; 4-Methoxy-6-styryl-(E)-2H-Pyran-2-one; (E)-4-Methoxy-6-styryl-2H-pyran-2-one; 4-methoxy-6-[(E)-styryl]pyran-2-one; 4-Methoxy-6-styryl-2H-pyran-2-one; 5,6-Dehydrokawain, (e)-isomer; DKKJNZYHGRUXBS-BQYQJAHWSA-N; trans-5,6-Dehydrokawain; Yangonin, demethoxy-; Desmethoxy Yangonin; Desmethoxyyangonin; Demethoxyyangonin; 5,6-Dehydrokavain; 5,6-Dehydrokawain; 56-Dehydrokawain; 5,6-Dehydrokawin; 56-Dehydrokawin; UNII-F2MBQ8QRUN; Tox21_200296; F2MBQ8QRUN; DMY; 5,6-Dehydrokawain; Desmethoxyyangonin



数据库引用编号

24 个数据库交叉引用编号

分类词条

相关代谢途径

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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)

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

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  • Yan Li, Hu Mei, Qiangen Wu, Suhui Zhang, Jia-Long Fang, Leming Shi, Lei Guo. Methysticin and 7,8-dihydromethysticin are two major kavalactones in kava extract to induce CYP1A1. Toxicological sciences : an official journal of the Society of Toxicology. 2011 Dec; 124(2):388-99. doi: 10.1093/toxsci/kfr235. [PMID: 21908763]
  • Rolf Teschke, Vincent Lebot. Proposal for a kava quality standardization code. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2011 Oct; 49(10):2503-16. doi: 10.1016/j.fct.2011.06.075. [PMID: 21756963]
  • Atul Upadhyay, Jamnian Chompoo, Wataru Kishimoto, Tadahirio Makise, Shinkichi Tawata. HIV-1 integrase and neuraminidase inhibitors from Alpinia zerumbet. Journal of agricultural and food chemistry. 2011 Apr; 59(7):2857-62. doi: 10.1021/jf104813k. [PMID: 21306110]
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  • Emma Warburton, Tony Bristow. Fourier transform ion cyclotron resonance mass spectrometry for the characterisation of kavalactones in the kava plant: elemental formulae confirmation by dual spray accurate mass measurement and structural confirmation by infrared multiphoton dissociation and sustained off-resonance irradiation collision induced dissociation. European journal of mass spectrometry (Chichester, England). 2006; 12(4):223-33. doi: 10.1255/ejms.808. [PMID: 17057279]
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  • James M Mathews, Amy S Etheridge, Sherry R Black. Inhibition of human cytochrome P450 activities by kava extract and kavalactones. Drug metabolism and disposition: the biological fate of chemicals. 2002 Nov; 30(11):1153-7. doi: 10.1124/dmd.30.11.1153. [PMID: 12386118]
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  • S Tawata, S Taira, N Kobamoto, M Ishihara, S Toyama. Syntheses and biological activities of dihydro-5,6-dehydrokawain derivatives. Bioscience, biotechnology, and biochemistry. 1996 Oct; 60(10):1643-5. doi: 10.1271/bbb.60.1643. [PMID: 8987662]
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