1,3,5-Trimethoxybenzene (BioDeep_00000017738)

 

Secondary id: BioDeep_00000269365

human metabolite PANOMIX_OTCML-2023 natural product


代谢物信息卡片


1,3,5-Trimethoxybenzene, Standard for quantitative NMR, TraceCERT(R)

化学式: C9H12O3 (168.0786402)
中文名称: 1,3,5-三甲氧基苯
谱图信息: 最多检出来源 Viridiplantae(plant) 0.24%

分子结构信息

SMILES: COC1=CC(=CC(=C1)OC)OC
InChI: InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3

描述信息

1,3,5-Trimethoxybenzene has been found to be a potential biomarker of flavonoid intake in human. Flavonoids are phytochemicals that are widespread in the human diet. Despite limitations in their bioavailability, experimental and epidemiological data suggest health benefits of flavonoid consumption. Valid biomarkers of flavonoid intake may be useful for estimating exposure in a range of settings. However, to date, few useful flavonoid biomarkers have been identified. A recent urine analysis suggested that urinary 4-ethylphenol, benzoic acid, and 4-ethylbenzoic acid may be potential biomarkers of quercetin intake and 1,3,5-trimethoxybenzene, 4-O-methylgallic acid, 3-O-methylgallic acid, and gallic acid may be potential markers of epigallocatechin gallate intake. Potential biomarkers of (-)-epicatechin were not identified. These urinary biomarkers may provide an accurate indication of flavonoid exposure (PMID: 19812218).
1,3,5-trimethoxybenzene is a methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans. It has a role as a biomarker and a human xenobiotic metabolite.
1,3,5-Trimethoxybenzene is a natural product found in Zieria chevalieri, Virola surinamensis, and other organisms with data available.
A polyphenol metabolite detected in biological fluids [PhenolExplorer]. 1,3,5-Trimethoxybenzene is found in many foods, some of which are carob, coriander, plains prickly pear, and italian sweet red pepper.
A methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans.
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
1,3,5-Trimethoxybenzene is a key component of the Chinese rose odor. 1,3,5-Trimethoxybenzene is synthesized in three successive methylation steps from phloroglucinol, the initial precursor[1].

同义名列表

38 个代谢物同义名

1,3,5-Trimethoxybenzene, Standard for quantitative NMR, TraceCERT(R); InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H; 1,3,5-Trimethoxybenzene, Vetec(TM) reagent grade, 98\\%; 1,3,5-Trimethoxybenzene, ReagentPlus(R), >=99\\%; 4-06-00-07362 (Beilstein Handbook Reference); 1-(Trans-4-pentylcyclohexyl)-4-iodobenzene; PHLOROGLUCINOL TRIMETHYL ETHER [INCI]; TRIMETHYLPHLOROGLUCINOL [WHO-DD]; O,O,O-1,3,5-Trimethylresorcinol; Phloroglucinol trimethyl ether; 1,3,5-Trimethoxybenzene (JAN); 1,3,5-TRIMETHOXYBENZENE [JAN]; Benzene, 1,3,5-trimethoxy-; 1,3,5-Trimethyoxybenzene; 1,3,5-trimethoxy-benzene; 1,3,5-Trimethoxy benzene; 2,4,6-Trimethoxy-benzene; 1,3,5 -trimethoxybenzene; 1,3,5-Trimethoxybenzene; trimethylphloroglucinol; 1,3,5-trimethoxybenzol; 1,5-Trimethyoxybenzene; 1,5-Trimethoxybenzene; sym-Trimethoxybenzene; Spectrum3_001030; Spectrum4_001163; Spectrum2_000426; Spectrum5_001766; UNII-00VJI3VG3D; NCIOpen2_001419; Tox21_111489_1; KBio2_007020; Tox21_111489; KBio2_001884; KBio2_004452; KBio3_002039; 00VJI3VG3D; TRIMETHYL PHLOROGLUCINOL



数据库引用编号

18 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

13 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(2)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(11)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

23 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

  • Siddheshwar K Chauthe, Ram Jee Sharma, Farrukh Aqil, Ramesh C Gupta, Inder Pal Singh. Quantitative NMR: an applicable method for quantitative analysis of medicinal plant extracts and herbal products. Phytochemical analysis : PCA. 2012 Nov; 23(6):689-96. doi: 10.1002/pca.2375. [PMID: 22707000]
  • Annick Dubois, Arnaud Remay, Olivier Raymond, Sandrine Balzergue, Aurélie Chauvet, Marion Maene, Yann Pécrix, Shu-Hua Yang, Julien Jeauffre, Tatiana Thouroude, Véronique Boltz, Marie-Laure Martin-Magniette, Stéphane Janczarski, Fabrice Legeai, Jean-Pierre Renou, Philippe Vergne, Manuel Le Bris, Fabrice Foucher, Mohammed Bendahmane. Genomic approach to study floral development genes in Rosa sp. PloS one. 2011; 6(12):e28455. doi: 10.1371/journal.pone.0028455. [PMID: 22194838]
  • Somer Bekiroglu, Olle Myrberg, Kristina Ostman, Marianne Ek, Torbjörn Arvidsson, Torgny Rundlöf, Birgit Hakkarainen. Validation of a quantitative NMR method for suspected counterfeit products exemplified on determination of benzethonium chloride in grapefruit seed extracts. Journal of pharmaceutical and biomedical analysis. 2008 Aug; 47(4-5):958-61. doi: 10.1016/j.jpba.2008.03.021. [PMID: 18456447]
  • Ramona A Cole, William A Haber, Robert O Lawton, William N Setzer. Leaf essential oil composition of three species of Myrcianthes from Monteverde, Costa Rica. Chemistry & biodiversity. 2008 Jul; 5(7):1327-34. doi: 10.1002/cbdv.200890120. [PMID: 18649320]
  • Laurent G Deluc, Jérôme Grimplet, Matthew D Wheatley, Richard L Tillett, David R Quilici, Craig Osborne, David A Schooley, Karen A Schlauch, John C Cushman, Grant R Cramer. Transcriptomic and metabolite analyses of Cabernet Sauvignon grape berry development. BMC genomics. 2007 Nov; 8(?):429. doi: 10.1186/1471-2164-8-429. [PMID: 18034876]
  • Jerome Grimplet, Laurent G Deluc, Richard L Tillett, Matthew D Wheatley, Karen A Schlauch, Grant R Cramer, John C Cushman. Tissue-specific mRNA expression profiling in grape berry tissues. BMC genomics. 2007 Jun; 8(?):187. doi: 10.1186/1471-2164-8-187. [PMID: 17584945]
  • Shuiqin Wu, Naoharu Watanabe, Satoru Mita, Hideo Dohra, Yoshihiro Ueda, Masaaki Shibuya, Yutaka Ebizuka. The key role of phloroglucinol O-methyltransferase in the biosynthesis of Rosa chinensis volatile 1,3,5-trimethoxybenzene. Plant physiology. 2004 May; 135(1):95-102. doi: 10.1104/pp.103.037051. [PMID: 15122041]