4'-Methylacetophenone (BioDeep_00000017703)

 

Secondary id: BioDeep_00000617785

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


4-Methylacetophenone, Vetec(TM) reagent grade, 94\\%

化学式: C9H10O (134.073161)
中文名称: 对甲基苯乙酮, 4-甲基苯乙酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.57%

分子结构信息

SMILES: CC(=O)C1=CC=C(C)C=C1
InChI: InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

描述信息

4-Methylacetophenone, also known as melilot or sweet clover, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-Methylacetophenone is a sweet, acetophenone, and bitter almond tasting compound. 4-Methylacetophenone has been detected, but not quantified, in several different foods, such as citrus, garden tomato, pepper (spice), garden tomato (var.), and milk and milk products. This could make 4-methylacetophenone a potential biomarker for the consumption of these foods.
Present in sour cherry, orange, grapefruit peel, blackcurrants, guava, peach, other fruits, celery, potato, tomato, pepper, parsley, smoked fish, cognac, Parmesan cheese and other foodstuffs. Flavouring ingredient. 4-Methylacetophenone is found in many foods, some of which are green vegetables, herbs and spices, garden tomato, and potato.
4-Methylacetophenone is an aromatic ketone.
4-Methylacetophenone is a natural product found in Cichorium endivia, Myrocarpus frondosus, and other organisms with data available.
4-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae.
4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].
4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].

同义名列表

62 个代谢物同义名

4-Methylacetophenone, Vetec(TM) reagent grade, 94\\%; InChI=1/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H; 4-Methylacetophenone, purum, >=96.0\\% (GC); 4-Methylacetophenone, analytical standard; 4-Methylacetophenone, >=95\\%, FCC, FG; 1-(4-Methylphenyl)ethanone, 9CI; (4-Methylphenyl) methyl ketone; Ethanone, 1-(4-methylphenyl)-; 1-(4-Methylphenyl)ethan-1-one; 1-(4-methylphenyl)-1-ethanone; 4-Methylphenyl methyl ketone; 1-(4-Methylphenyl)ethanone #; P-METHYL ACETOPHENONE [INCI]; 4-METHYLACETOPHENONE [FHFI]; 4-METHYL ACETOPHENONE [FCC]; 1-(4-methylphenyl)-ethanone; 4-Methylacetophenone, 95\\%; 1-(4-Methylphenyl)ethanone; para-methyl acetophenone; 1-Methyl-4-acetylbenzene; Para Methyl Acetophenone; para-Methyl-acetophenone; (4-Methylphenyl)ethanone; 1-Acetyl-4-methylbenzene; Tolyl methyl ketone, p-; Acetophenone, 4-methyl-; p- Methyl acetophenone; 4-Methyl acetophenone; p- methylacetophenone; p-Methyl acetophenone; METHYL-P-TOLYL KETONE; 4-methyl-acetophenone; p-methyl-acetophenone; Methyl p-tolyl ketone; p-tolyl methyl ketone; 4-methyl acetophenone; 4-Methylacetophenone; 4-METHYLACETOPHENONE; p-methylacetophenone; 4-methylacteophenone; 1-(p-tolyl)-ethanone; 1-(p-Tolyl)ethanone; Yellow sweet clover; 4-tolylmethylketone; 1-P-TOLYL-ETHANONE; 1-p-Tolylethanone; Nchem.328-comp4a; 4-Acetyltoluene; UNII-AX66V0KX3Y; p-Acetyltoluene; Yellow melilot; p-Acetotoluene; Tox21_302023; Sweet clover; WLN: 1VR D1; AX66V0KX3Y; Melilotal; AI3-00734; Esberiven; FEMA 2677; Melilot; 4'-Methylacetophenone



数据库引用编号

12 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)

24 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

  • Min Seok Oh, Ji-Yeon Yang, Hoi Seon Lee. Acaricidal toxicity of 2'-hydroxy-4'-methylacetophenone isolated from Angelicae koreana roots and structure-activity relationships of its derivatives. Journal of agricultural and food chemistry. 2012 Apr; 60(14):3606-11. doi: 10.1021/jf205379u. [PMID: 22429095]
  • Xiaoqing Yang, Huaixiang Tian, Chi-Tang Ho, Qingrong Huang. Inhibition of citral degradation by oil-in-water nanoemulsions combined with antioxidants. Journal of agricultural and food chemistry. 2011 Jun; 59(11):6113-9. doi: 10.1021/jf2012375. [PMID: 21517071]
  • Seungwon Shin. In vitro effects of essential oils from Ostericum koreanum against antibiotic-resistant Salmonella spp. Archives of pharmacal research. 2005 Jul; 28(7):765-9. doi: 10.1007/bf02977340. [PMID: 16114489]
  • Chia-Pei Liang, Mingfu Wang, James E Simon, Chi-Tang Ho. Antioxidant activity of plant extracts on the inhibition of citral off-odor formation. Molecular nutrition & food research. 2004 Sep; 48(4):308-17. doi: 10.1002/mnfr.200400027. [PMID: 15497182]