4-Methylcatechol (BioDeep_00000018337)
Main id: BioDeep_00000002894
human metabolite Endogenous blood metabolite PANOMIX_OTCML-2023 BioNovoGene_Lab2019
代谢物信息卡片
化学式: C7H8O2 (124.0524)
中文名称: 4-甲基儿茶酚, 3,4-二羟基甲苯
谱图信息:
最多检出来源 Homo sapiens(blood) 52.51%
分子结构信息
SMILES: c1cc(c(cc1C)O)O
InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
描述信息
4-Methylcatechol, also known as homocatechol or toluene-3,4-diol, belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Outside of the human body, 4-Methylcatechol is found, on average, in the highest concentration within a few different foods such as coffee and cocoa powders and in a lower concentration in beers. 4-Methylcatechol has also been detected, but not quantified in eggplants. This could make 4-methylcatechol a potential biomarker for the consumption of these foods. Recent studies have suggested that a lack of brain-derived neurotrophic factor (BDNF) in the limbic system may cause neuropathic pain (PMID:22198556). It is both a substrate and a suicide inhibitor of catechol 2,3-dioxygenase (PMID:15006807). 4-Methylcatechol is a metabolite of homoprotocatechuic acid (PMID:4974346). 4-Methylcatechol is known to induce the production of BDNF.
4-methylcatechol is a metabolite of homoprotocatechuic acid. It is both a substrate and a suicide inhibitor of Catechol 2,3-dioxygenase [EC 1.3.11.2]. (PMID 15006807) [HMDB]. 4-Methyl-1,2-benzenediol is found in many foods, some of which are coffee, beer, arabica coffee, and cocoa powder.
4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
同义名列表
20 个代谢物同义名
4-Methyl-1,2-dihydroxybenzene; 1,2-Dihydroxy-4-methylbenzene; 1-Methyl-3,4-dihydroxybenzene; 2-Hydroxy-4-methylphenol; 4-methylbenzene-1,2-diol; 4-Methyl-1,2-benzenediol; 4-Methyl-pyrocatechol; 4-Methylpyrocatechol; 3,4-Dihydroxytoluene; p-Methylpyrocatechol; 5-Methylcatechol; Toluene-3,4-diol; 4-Methylcatechol; p-Methylcatechol; Homopyrocatechol; 4-Metylcatechol; 4-Methylcatehol; Homocatechol; 4-Methylcatechol; 4-Methylcatechol
数据库引用编号
15 个数据库交叉引用编号
- HMDB: HMDB0000873
- Wikipedia: 4-Methylcatechol
- KNApSAcK: C00002660
- foodb: FDB008861
- chemspider: 9564
- CAS: 452-86-8
- PMhub: MS000006809
- RefMet: 4-Methylcatechol
- medchemexpress: HY-W012814
- BioNovoGene_Lab2019: BioNovoGene_Lab2019-516
- KEGG: C06730
- PubChem: 8952
- KNApSAcK: 17254
- LOTUS: LTS0237737
- wikidata: Q15303189
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)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
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。
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