3,4,5-Trimethoxybenzaldehyde (BioDeep_00000317709)

 

Secondary id: BioDeep_00000868987

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H

化学式: C10H12O4 (196.0736)
中文名称: 3,4,5-三甲氧基苯甲醛
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=CC(=CC(=C1OC)OC)C=O
InChI: InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3

描述信息

3,4,5-Trimethoxybenzaldehyde is a natural product found in Zanthoxylum ailanthoides, Cassia grandis, and other organisms with data available.
3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to research bacterial infections, including urinary tract pathogens infection.
3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to research bacterial infections, including urinary tract pathogens infection.

同义名列表

22 个代谢物同义名

InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0\\% (HPLC); 4-08-00-02719 (Beilstein Handbook Reference); 3,4,5-Trimethoxybenzaldehyde, 98\\%; 3,4,5-Trimethoxybenzoic Acid,(S); 3, 4, 5-trimethoxy-benzaldehyde; Benzaldehyde, 3,4,5-trimethoxy-; 3,4,5,-trimethoxy benzaldehyde; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3, 4, 5-trimethoxybenzaldehyde; 3,4,5 -trimethoxybenzaldehyde; 3,4,5-trimethoxy benzaldehyde; 3,4,5,-trimethoxybenzaldehyde; 3,4,5-trimethoxy-benzaldehyde; 3,4,5-Trimethoxybenzaldehyde; 3,4,5 trimethoxybenzaldehyde; Trimethoprim Intermediates; 3,5-Trimethoxybenzaldehyde; UNII-WL86YD76N6; WL86YD76N6; AI3-36673; 3,4,5-Trimethoxybenzaldehyde



数据库引用编号

9 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)

20 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。

亚细胞结构定位 关联基因列表


文献列表

  • Manas Pratim Chakraborty, Sudipta Bhattacharyya, Souryadip Roy, Indira Bhattacharya, Rahul Das, Arindam Mukherjee. Selective targeting of the inactive state of hematopoietic cell kinase (Hck) with a stable curcumin derivative. The Journal of biological chemistry. 2021 Jan; 296(?):100449. doi: 10.1016/j.jbc.2021.100449. [PMID: 33617879]
  • Vikas Srivastava, Arvind Singh Negi, P V Ajayakumar, Shamshad A Khan, Suchitra Banerjee. Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds. Applied biochemistry and biotechnology. 2012 Mar; 166(6):1401-8. doi: 10.1007/s12010-011-9533-3. [PMID: 22246731]
  • Martin Pareja, Erika Qvarfordt, Ben Webster, Patrick Mayon, John Pickett, Michael Birkett, Robert Glinwood. Herbivory by a Phloem-feeding insect inhibits floral volatile production. PloS one. 2012; 7(2):e31971. doi: 10.1371/journal.pone.0031971. [PMID: 22384116]
  • Caihong Li, Baoan Song, Kai Yan, Gangfang Xu, Deyu Hu, Song Yang, Linhong Jin, Wei Xue, Ping Lu. One pot synthesis of alpha-aminophosphonates containing bromo and 3,4,5-trimethoxybenzyl groups under solvent-free conditions. Molecules (Basel, Switzerland). 2007 Feb; 12(2):163-72. doi: 10.3390/12020163. [PMID: 17846566]
  • Chia-Ying Li, Chung-Hua Lin, Tian-Shung Wu. Quantitative analysis of camptothecin derivatives in Nothapodytes foetida using 1H-NMR method. Chemical & pharmaceutical bulletin. 2005 Mar; 53(3):347-9. doi: 10.1248/cpb.53.347. [PMID: 15744115]
  • S Sale, R D Verschoyle, D Boocock, D J L Jones, N Wilsher, K C Ruparelia, G A Potter, P B Farmer, W P Steward, A J Gescher. Pharmacokinetics in mice and growth-inhibitory properties of the putative cancer chemopreventive agent resveratrol and the synthetic analogue trans 3,4,5,4'-tetramethoxystilbene. British journal of cancer. 2004 Feb; 90(3):736-44. doi: 10.1038/sj.bjc.6601568. [PMID: 14760392]