2-Undecanone (BioDeep_00000001093)

 

Secondary id: BioDeep_00000860079

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


2-Undecanone, analytical standard

化学式: C11H22O (170.1670562)
中文名称: 甲基壬基甲酮, 甲基壬基甲酮
谱图信息: 最多检出来源 Macaca mulatta(otcml) 1.98%

分子结构信息

SMILES: CC(=O)CCCCCCCCC
InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

描述信息

2-Undecanone is found in cloves. 2-Undecanone is found in palm kernel oil and soya bean oil. 2-Undecanone is an important constituent of rue oil (Ruta graveolens) and found in many other essential oils. Also found in black currant buds, raspberry, black berry peach and other fruits. 2-Undecanone is used in flavourings 2-Undecanone is a ketone, also known as methyl nonyl ketone (MNK). It is soluble in ethanol, benzene, chloroform, and acetone, but its large carbon chain renders it insoluble in water. Like most methyl ketones, 2-undecanone undergoes a haloform reaction when in the presence of a base. For example, the reaction between 2-undecanone and sodium hypochlorite yields sodium decanoate, chloroform, and sodium hydroxide. 2-Undecanone, also known as methyl nonyl ketone and IBI-246, is an oily organic liquid manufactured synthetically, but which can also be extracted from oil of rue. It is found naturally in bananas, cloves, ginger, guava, strawberries, and wild-grown tomatoes. 2-Undecanone is used in the perfumery and flavoring industries, but because of its strong odor it is primarily used as an insect repellent or animal repellent. Typically, 1 2\\\\% concentrations of 2-undecanone are found in dog and cat repellents in the form of a liquid, aerosol spray, or gel.
Undecan-2-one is a dialkyl ketone with methyl and nonyl as the two alkyl groups. It has a role as a rodenticide and a plant metabolite. It is a dialkyl ketone and a methyl ketone.
2-Undecanone is a natural product found in Zanthoxylum myriacanthum, Eupatorium capillifolium, and other organisms with data available.
2-Undecanone is a metabolite found in or produced by Saccharomyces cerevisiae.
Found in palm kernel oil and soya bean oil. Important constituent of rue oil (Ruta graveolens) and found in many other essential oils. Also found in black currant buds, raspberry, black berry peach and other fruits. It is used in flavourings
A dialkyl ketone with methyl and nonyl as the two alkyl groups.
2-Undecanone is a volatile organic compound, which inhibits the DnaKJE-ClpB bichaperone dependent refolding of heat-inactivated bacterial luciferases. 2-Undecanone inhibits lung tumorigenesis[1][2].
2-Undecanone is a volatile organic compound, which inhibits the DnaKJE-ClpB bichaperone dependent refolding of heat-inactivated bacterial luciferases. 2-Undecanone inhibits lung tumorigenesis[1][2].

同义名列表

37 个代谢物同义名

2-Undecanone, analytical standard; 2-Undecanone, natural, FCC, FG; 2-Undecanone, >=98\\%, FCC, FG; MGK Dog and Cat Repellent; METHYL NONYL KETONE [MI]; Mgk dog & cat repellent; 2-Methylundecanone,(S); 2-Undecanone (natural); METHYL N-NONYL KETONE; Methyl-n-nonylketone; Ketone, methyl nonyl; methyl n-nonylketone; 2-UNDECANONE [HSDB]; 2-UNDECANONE [FHFI]; Nonyl methyl ketone; methyl nonyl ketone; 2-Undecanone, 99\\%; 2-UNDECANONE [FCC]; Methylnonylketone; UNII-YV5DSO8CY9; MGK dog AMP MNK; UNDECANONE, 2-; Undecanone-(2); 2-Oxoundecane; undecan-2-one; 2-Hendecanone; Tox21_301385; 2-Undecanone; Rue ketone; UNDECANONE; YV5DSO8CY9; FEMA 3093; AI3-03081; WLN: 9V1; Luparone; Enodyl; BioUD



数据库引用编号

26 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)

117 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

  • Aigerim Kurmanbayeva, Meirambek Ospanov, Prabin Tamang, Farhan Mahmood Shah, Abbas Ali, Zeyad M A Ibrahim, Charles L Cantrell, Satmbekova Dinara, Ubaidilla Datkhayev, Ikhlas A Khan, Mohamed A Ibrahim. Regioselective Claisen-Schmidt Adduct of 2-Undecanone from Houttuynia cordata Thunb as Insecticide/Repellent against Solenopsis invicta and Repositioning Plant Fungicides against Colletotrichum fragariae. Molecules (Basel, Switzerland). 2023 Aug; 28(16):. doi: 10.3390/molecules28166100. [PMID: 37630353]
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  • Adela S Oliva Chávez, Stephanie Guzman Valencia, Geoffrey E Lynn, Charluz Arocho Rosario, Donald B Thomas, Tammi L Johnson. Evaluation of the in vitro acaricidal effect of five organic compounds on the cattle fever tick Rhipicephalus (Boophilus) microplus (Acari: Ixodidae). Experimental & applied acarology. 2023 Apr; 89(3-4):447-460. doi: 10.1007/s10493-023-00780-9. [PMID: 37052726]
  • Chen-Hsiang Lin, Louis Kuoping Chao, Li-Yun Lin, Chin-Sheng Wu, Lee-Ping Chu, Chien-Hsueh Huang, Hsin-Chun Chen. Analysis of Volatile Compounds from Different Parts of Houttuynia cordata Thunb. Molecules (Basel, Switzerland). 2022 Dec; 27(24):. doi: 10.3390/molecules27248893. [PMID: 36558024]
  • Xueyan Wu, Jing Li, Shaopeng Wang, Liping Jiang, Xiance Sun, Xiaofang Liu, Xiaofeng Yao, Cong Zhang, Ningning Wang, Guang Yang. 2-Undecanone Protects against Fine Particle-Induced Kidney Inflammation via Inducing Mitophagy. Journal of agricultural and food chemistry. 2021 May; 69(17):5206-5215. doi: 10.1021/acs.jafc.1c01305. [PMID: 33877841]
  • Yanmei Lou, Zhenzhen Guo, Yuanfeng Zhu, Muyan Kong, Rongrong Zhang, Linlin Lu, Feichi Wu, Zhongqiu Liu, Jinjun Wu. Houttuynia cordata Thunb. and its bioactive compound 2-undecanone significantly suppress benzo(a)pyrene-induced lung tumorigenesis by activating the Nrf2-HO-1/NQO-1 signaling pathway. Journal of experimental & clinical cancer research : CR. 2019 Jun; 38(1):242. doi: 10.1186/s13046-019-1255-3. [PMID: 31174565]
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  • Olga E Melkina, Inessa A Khmel, Vladimir A Plyuta, Olga A Koksharova, Gennadii B Zavilgelsky. Ketones 2-heptanone, 2-nonanone, and 2-undecanone inhibit DnaK-dependent refolding of heat-inactivated bacterial luciferases in Escherichia coli cells lacking small chaperon IbpB. Applied microbiology and biotechnology. 2017 Jul; 101(14):5765-5771. doi: 10.1007/s00253-017-8350-1. [PMID: 28577028]
  • Vishal Kumar, S G Eswara Reddy, Urvashi Chauhan, Neeraj Kumar, Bikram Singh. Chemical composition and larvicidal activity of Zanthoxylum armatum against diamondback moth, Plutella xylostella. Natural product research. 2016; 30(6):689-92. doi: 10.1080/14786419.2015.1036270. [PMID: 25920469]
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  • Teresa Weise, Marco Kai, Anja Gummesson, Armin Troeger, Stephan von Reuß, Silvia Piepenborn, Francine Kosterka, Martin Sklorz, Ralf Zimmermann, Wittko Francke, Birgit Piechulla. Volatile organic compounds produced by the phytopathogenic bacterium Xanthomonas campestris pv. vesicatoria 85-10. Beilstein journal of organic chemistry. 2012; 8(?):579-96. doi: 10.3762/bjoc.8.65. [PMID: 22563356]
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  • Mayanka Walia, Tavleen S Mann, Dharmesh Kumar, Vijai K Agnihotri, Bikram Singh. Chemical Composition and In Vitro Cytotoxic Activity of Essential Oil of Leaves of Malus domestica Growing in Western Himalaya (India). Evidence-based complementary and alternative medicine : eCAM. 2012; 2012(?):649727. doi: 10.1155/2012/649727. [PMID: 22619691]
  • Ashok Kumar, Mahendra Lal Tamta, Nisha Negi, K Chandrasekhar, Devendra Singh Negi. Phytochemical investigation and antifeedant activity of Premna latifolia leaves. Natural product research. 2011 Oct; 25(18):1680-6. doi: 10.1080/14786419.2010.511620. [PMID: 21756197]
  • Kaiwen Deng, Fuyuan He, Jilian Shi, Wenlong Liu, Huan Zou, Yun Qiu, Feng Chen. [Study on network compatibility of metabolisms in vivo rat for volatile oil in houttuyniae herba and 2-undecanone]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2011 Aug; 36(15):2076-83. doi: . [PMID: 22066443]
  • Nikoletta G Ntalli, Francesca Manconi, Marco Leonti, Andrea Maxia, Pierluigi Caboni. Aliphatic ketones from Ruta chalepensis (Rutaceae) induce paralysis on root knot nematodes. Journal of agricultural and food chemistry. 2011 Jul; 59(13):7098-103. doi: 10.1021/jf2013474. [PMID: 21631118]
  • N W Kimps, B W Bissinger, C S Apperson, D E Sonenshine, R M Roe. First report of the repellency of 2-tridecanone against ticks. Medical and veterinary entomology. 2011 Jun; 25(2):202-8. doi: 10.1111/j.1365-2915.2010.00918.x. [PMID: 21073492]
  • Prisca S Pierre, Jeroen J Jansen, Cornelis A Hordijk, Nicole M van Dam, Anne-Marie Cortesero, Sébastien Dugravot. Differences in volatile profiles of turnip plants subjected to single and dual herbivory above- and belowground. Journal of chemical ecology. 2011 Apr; 37(4):368-77. doi: 10.1007/s10886-011-9934-3. [PMID: 21448706]
  • Alan J Grant, Joseph C Dickens. Functional characterization of the octenol receptor neuron on the maxillary palps of the yellow fever mosquito, Aedes aegypti. PloS one. 2011; 6(6):e21785. doi: 10.1371/journal.pone.0021785. [PMID: 21738794]
  • Wan Mohd Nuzul Hakimi Wan Salleh, Farediah Ahmad, Khong Heng Yen, Hasnah Mohd Sirat. Chemical compositions, antioxidant and antimicrobial activities of essential oils of Piper caninum Blume. International journal of molecular sciences. 2011; 12(11):7720-31. doi: 10.3390/ijms12117720. [PMID: 22174627]
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