4-Methoxyphenylacetic acid (BioDeep_00000017277)

 

Secondary id: BioDeep_00000226719, BioDeep_00000405506, BioDeep_00000605919

human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite


代谢物信息卡片


InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11

化学式: C9H10O3 (166.062991)
中文名称: 4-甲氧基苯乙酸
谱图信息: 最多检出来源 Homo sapiens(blood) 23.9%

分子结构信息

SMILES: COC1=CC=C(C=C1)CC(=O)O
InChI: InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

描述信息

4-methoxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. It has a role as a plant metabolite, a plant growth retardant and an Aspergillus metabolite. It is a monocarboxylic acid and a monomethoxybenzene. 4-Methoxyphenylacetic acid, also known as 4-methoxybenzeneacetate or 2-(p-anisyl)acetic acid, belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue.
4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion.
4-methoxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. It has a role as a plant metabolite, a plant growth retardant and an Aspergillus metabolite. It is a monocarboxylic acid and a monomethoxybenzene.
4-Methoxyphenylacetic acid is a natural product found in Gloeophyllum odoratum, Berberis koreana, and other organisms with data available.
A monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds.
4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. (PMIDs 6511847, 4645252, 12416886) [HMDB]
2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.
2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.

同义名列表

57 个代谢物同义名

InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11; 4-Methoxyphenylacetic acid, Vetec(TM) reagent grade, 98\\%; 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hcl; 4-Methoxyphenylacetic acid, ReagentPlus(R), 99\\%; 3-methoxyphenylacetic acid, potassium salt; [4-(methyloxy)phenyl]acetic acid; Acetic acid, (p-methoxyphenyl)-; 2-(4-methoxyphenyl)-acetic acid; Benzeneacetic acid, 4-methoxy-; 2-(P-METHOXYPHENYL)ACETIC ACID; 2-(4-methoxyphenyl)acetic acid; (4-Methoxy-phenyl)-acetic acid; (4-methoxyphenyl)ethanoic acid; p-Methoxy-.alpha.-toluic acid; Acetic acid, p-methoxyphenyl-; (4-methoxyphenyl)-acetic acid; (4methoxy-phenyl)-acetic acid; para-methoxyphenylacetic acid; 4-methoxy-benzeneacetic acid; (4-Methoxyphenyl)acetic acid; (p-Methoxyphenyl)acetic acid; p-methoxy phenyl acetic acid; p-methoxyphenyl-acetic acid; 4-Methoxybenzeneacetic acid; 4-Methoxyphenyl acetic acid; p-Methoxy-alpha-toluic acid; p-methoxyphenyl acetic acid; 4-Methoxy phenylacetic acid; p-methoxyphenylacetic acid; 3-methoxyphenylacetic acid; 4-Methoxyphenylacetic acid; (4-Methoxy-phenyl)-acetate; 4-Methoxyphenylaceticacid; 4-methoxy-benzeneacetate; 4-methoxyphenacetic acid; (p-Methoxyphenyl)acetate; (4-Methoxyphenyl)acetate; p-Methoxy-α-toluic acid; 4-Methoxybenzeneacetate; p-Methoxy-alpha-toluate; p-methoxyphenyl-acetate; 2-(p-Anisyl)acetic acid; p-Methoxy-a-toluic acid; 4-methoxyphenylacetate; p-Methoxyphenylacetate; 4-Methoxyphenylacetic; 2-(p-Anisyl)acetate; p-Methoxy-α-toluate; p-Anisylacetic acid; p-Methoxy-a-toluate; Homo-p-anisic acid; Homoanisic acid; UNII-AJP2V8U5K6; NCIOpen2_000187; WLN: QV1R DO1; Homoanisate; AJP2V8U5K6



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

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)

9 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

  • Xinchun Li, HuiHui Hou, He Liu, Hancheng Wang, Liuti Cai, Mengnan An, Chong Zhang, Yuanhua Wu. Identification of 3-Methoxyphenylacetic Acid as a Phytotoxin, Produced by Rhizoctonia solani AG-3 TB. Molecules (Basel, Switzerland). 2023 Jan; 28(2):. doi: 10.3390/molecules28020790. [PMID: 36677848]
  • Di Zhou, Hongyan Wei, Zhe Jiang, Xuezheng Li, Kun Jiao, Xiaoguang Jia, Yue Hou, Ning Li. Natural potential neuroinflammatory inhibitors from Alhagi sparsifolia Shap. Bioorganic & medicinal chemistry letters. 2017 02; 27(4):973-978. doi: 10.1016/j.bmcl.2016.12.075. [PMID: 28073678]
  • Guoxiang Xie, Mao Ye, Yungang Wang, Yan Ni, Mingming Su, Hua Huang, Mingfeng Qiu, Aihua Zhao, Xiaojiao Zheng, Tianlu Chen, Wei Jia. Characterization of pu-erh tea using chemical and metabolic profiling approaches. Journal of agricultural and food chemistry. 2009 Apr; 57(8):3046-54. doi: 10.1021/jf804000y. [PMID: 19320437]