2-Methoxybenzaldehyde (BioDeep_00000017470)

 

Secondary id: BioDeep_00000618681, BioDeep_00000861816

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


o-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard

化学式: C8H8O2 (136.0524268)
中文名称: 2-甲氧基苯甲醛, 邻甲氧基苯甲醛, 2-甲氧基苯甲醛
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.74%

分子结构信息

SMILES: COC1=CC=CC=C1C=O
InChI: InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3

描述信息

2-Methoxybenzaldehyde is found in Chinese cinnamon. 2-Methoxybenzaldehyde is present in cinnamon (Cinnamomum zeylanicum). 2-Methoxybenzaldehyde is a flavouring ingredient. Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. (Wikipedia).
Present in cinnamon (Cinnamomum zeylanicum). Flavouring ingredient
2-Methoxybenzaldehyde is a carbonyl compound.
2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].
2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].

同义名列表

43 个代谢物同义名

o-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard; InChI=1/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H; o-Anisaldehyde, Salicylaldehyde methyl ether; 4-08-00-00180 (Beilstein Handbook Reference); 2-Methoxybenzaldehyde, analytical standard; o-Anisaldehyde;2-Methoxybenzaldehyde; 2-Methoxybenzenecarboxaldehyde; Salicylaldehyde methyl ether; O-METHOXYBENZALDEHYDE [FHFI]; 2-Methoxybenzaldehyde, 98\\%; 2-Methoxyphenylformaldehyde; (2-methoxyphenyl)methanone; 2-(Methoxy-d3)benzaldehyde; o-Anisaldehyde, >=97\\%, FG; Benzaldehyde, 2-methoxy-; Benzaldehyde, o-methoxy-; orthomethoxybenzaldehyde; METHOXYBENZALDEHYDE, O-; O-ANISALDEHYDE [USP-RS]; o-Anisaldehyde, >=97\\%; 2-methoxy-benzaldehyde; o-methoxy-benzaldehyde; 2-Methoxy benzaldehyde; o-methoxy benzaldehyde; O-ANISALDEHYDE [FHFI]; 6-Methoxybenzaldehyde; 2-Methoxybenzaldehyde; o-Methoxybenzaldehyde; methoxy benzaldehyde; O-Anisaldehyde, 8CI; ortho-anisaldehyde; orthoanisaldehyde; Formylanisole, o-; o -anisaldehyde; O-FORMYLANISOLE; o- Anisaldehyde; UNII-7CP821WF2W; o-Anisaldehyde; 0-anisaldehyde; 2-Anisaldehyde; Tox21_303774; 7CP821WF2W; AI3-01375



数据库引用编号

13 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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BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

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2 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

  • Simone K Huber, Georg Höfner, Klaus T Wanner. Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1). Bioorganic & medicinal chemistry. 2019 07; 27(13):2753-2763. doi: 10.1016/j.bmc.2019.05.001. [PMID: 31097402]
  • Felix Kern, Klaus T Wanner. Screening oxime libraries by means of mass spectrometry (MS) binding assays: Identification of new highly potent inhibitors to optimized inhibitors γ-aminobutyric acid transporter 1. Bioorganic & medicinal chemistry. 2019 04; 27(7):1232-1245. doi: 10.1016/j.bmc.2019.02.015. [PMID: 30777661]
  • Tobias J Hauke, Thomas Wein, Georg Höfner, Klaus T Wanner. Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries. Journal of medicinal chemistry. 2018 11; 61(22):10310-10332. doi: 10.1021/acs.jmedchem.8b01602. [PMID: 30376325]
  • Md Iqbal Alam, Mohammed A Alam, Ozair Alam, Amit Nargotra, Subhash Chandra Taneja, Surrinder Koul. Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship. European journal of medicinal chemistry. 2016 May; 114(?):209-19. doi: 10.1016/j.ejmech.2016.03.008. [PMID: 26986086]
  • Pierluigi Caboni, Nadhem Aissani, Tiziana Cabras, Andrea Falqui, Roberto Marotta, Barbara Liori, Nikoletta Ntalli, Giorgia Sarais, Nicola Sasanelli, Graziella Tocco. Potent nematicidal activity of phthalaldehyde, salicylaldehyde, and cinnamic aldehyde against Meloidogyne incognita. Journal of agricultural and food chemistry. 2013 Feb; 61(8):1794-803. doi: 10.1021/jf305164m. [PMID: 23379671]
  • Eun-Young Jeong, Kyoung-Shik Cho, Hoi-Seon Lee. Food protective effects of Periploca sepium oil and its active component against stored food mites. Journal of food protection. 2012 Jan; 75(1):118-22. doi: 10.4315/0362-028x.jfp-11-315. [PMID: 22221363]
  • Dirk Schäfer, Steffen Maune. Pathogenic Mechanisms and In Vitro Diagnosis of AERD. Journal of allergy. 2012; 2012(?):789232. doi: 10.1155/2012/789232. [PMID: 22654920]
  • Jong H Kim, Kathleen L Chan, Noreen Mahoney, Bruce C Campbell. Antifungal activity of redox-active benzaldehydes that target cellular antioxidation. Annals of clinical microbiology and antimicrobials. 2011 May; 10(?):23. doi: 10.1186/1476-0711-10-23. [PMID: 21627838]
  • Chao-Bin Xue, Li Zhang, Wan-Chun Luo, Xian-Ye Xie, Lin Jiang, Ting Xiao. 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry. 2007 Mar; 15(5):2006-15. doi: 10.1016/j.bmc.2006.12.038. [PMID: 17258462]
  • Ii-Kwon Park, Kwang-Sik Choi, Do-Hyung Kim, In-Ho Choi, Lee-Sun Kim, Won-Chull Bak, Joon-Weon Choi, Sang-Chul Shin. Fumigant activity of plant essential oils and components from horseradish (Armoracia rusticana), anise (Pimpinella anisum) and garlic (Allium sativum) oils against Lycoriella ingenua (Diptera: Sciaridae). Pest management science. 2006 Aug; 62(8):723-8. doi: 10.1002/ps.1228. [PMID: 16786497]
  • Marcos Montesano, Heidi Hyytiäinen, Rodolfo Wettstein, E Tapio Palva. A novel potato defence-related alcohol:NADP+ oxidoreductase induced in response to Erwinia carotovora. Plant molecular biology. 2003 May; 52(1):177-89. doi: 10.1023/a:1023981631596. [PMID: 12825698]
  • Aldwin M Anterola, Norman G Lewis. Trends in lignin modification: a comprehensive analysis of the effects of genetic manipulations/mutations on lignification and vascular integrity. Phytochemistry. 2002 Oct; 61(3):221-94. doi: 10.1016/s0031-9422(02)00211-x. [PMID: 12359514]