3-Thujanone (BioDeep_00000036398)

Main id: BioDeep_00000000664

 

human metabolite Endogenous


代谢物信息卡片


4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, 9ci

化学式: C10H16O (152.12010859999998)
中文名称: 侧柏酮(α-和β-位的混和物)
谱图信息: 最多检出来源 Homo sapiens(not specific) 10.71%

分子结构信息

SMILES: CC(C)C12CC1C(C)C(=O)C2
InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3

描述信息

3-Thujanone is found in common sage. Thujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. (Wikipedia).
Thujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. 3-Thujanone is found in common sage.

同义名列表

25 个代谢物同义名

4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, 9ci; Bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-; 4-Methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one; beta-thujone, (1S-(1alpha,4alpha,5alpha))-isomer; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; beta-thujone, 1S-(1alpha,4beta,5alpha)-isomer; beta-thujone, (1alpha,4alpha,5alpha)-isomer; alpha, beta-thujone; (+-)-Isothujone; alpha-thujone; 3-Sabinanone; beta-thujone; 3-isothujone; Chrysanthone; (+-)-Thujone; cis-thujone; (-)-thujone; 3-thujanone; (+)-thujone; Tanacetone; NSC 407281; Absinthone; Salvone; Thujone; 3-Thujanone



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)

5 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

  • R Sasidharan, L Brokate, E J Eilers, C Müller. Chemodiversity in flowers of Tanacetum vulgare has consequences on a florivorous beetle. Plant biology (Stuttgart, Germany). 2023 Dec; 25(7):1071-1082. doi: 10.1111/plb.13576. [PMID: 37703504]
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  • Ramalingam Srinivasan, Arumugam Aruna, Jong Suk Lee, Myunghee Kim, Muthugounder Subramaniam Shivakumar, Devarajan Natarajan. Antioxidant and Antiproliferative Potential of Bioactive Molecules Ursolic Acid and Thujone Isolated from Memecylon edule and Elaeagnus indica and Their Inhibitory Effect on Topoisomerase II by Molecular Docking Approach. BioMed research international. 2020; 2020(?):8716927. doi: 10.1155/2020/8716927. [PMID: 32149143]
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  • Renato T F Paranaiba, Carlos B V Carvalho, Jorge M Freitas, Levy H Fassio, Élvio D Botelho, Diana B J Neves, Ronaldo C Silva, Sérgio M Aguiar. Forensic botany and forensic chemistry working together: application of plant DNA barcoding as a complement to forensic chemistry-a case study in Brazil. Genome. 2019 Jan; 62(1):11-18. doi: 10.1139/gen-2018-0066. [PMID: 30707055]
  • Irene Thamm, Konrad Tiefenbacher, Michael Rychlik. Quantification of α-Thujone and Its Metabolites in Human Urine after Consumption of a Sage Infusion Using Stable Isotope Dilution Assays. Toxins. 2018 12; 10(12):. doi: 10.3390/toxins10120511. [PMID: 30513900]
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  • Alessandra Manzo, Loana Musso, Sara Panseri, Marcello Iriti, Sabrina Dallavalle, Enrico Catalano, Giorgio Scarì, Annamaria Giorgi. Screening of the chemical composition and bioactivity of Waldheimia glabra (Decne.) Regel essential oil. Journal of the science of food and agriculture. 2016 Jul; 96(9):3195-201. doi: 10.1002/jsfa.7499. [PMID: 26467601]
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  • Rosaria Cozzolino, Sadrollah Ramezani, Antonella Martignetti, Angela Mari, Sonia Piacente, Beatrice De Giulio. Determination of volatile organic compounds in the dried leaves of Salvia species by solid-phase microextraction coupled to gas chromatography mass spectrometry. Natural product research. 2016; 30(7):841-8. doi: 10.1080/14786419.2015.1076817. [PMID: 26305878]
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  • Andreas Gesell, Markus Blaukopf, Lina Madilao, Macaire M S Yuen, Stephen G Withers, Jim Mattsson, John H Russell, Jörg Bohlmann. The gymnosperm cytochrome P450 CYP750B1 catalyzes stereospecific monoterpene hydroxylation of (+)-sabinene in thujone biosynthesis in western redcedar. Plant physiology. 2015 May; 168(1):94-106. doi: 10.1104/pp.15.00315. [PMID: 25829465]
  • Cory Creed, Ariel Mollhagen, Noelle Mollhagen, Maciej A Pszczolkowski. Artemisia arborescens 'Powis Castle' extracts and α-thujone prevent fruit infestation by codling moth neonates. Pharmaceutical biology. 2015; 53(10):1458-64. doi: 10.3109/13880209.2014.985796. [PMID: 25853962]
  • Richard Karban, William C Wetzel, Kaori Shiojiri, Satomi Ishizaki, Santiago R Ramirez, James D Blande. Deciphering the language of plant communication: volatile chemotypes of sagebrush. The New phytologist. 2014 Oct; 204(2):380-5. doi: 10.1111/nph.12887. [PMID: 24920243]
  • Haobin Hu, Xudong Zheng, Huaisheng Hu, Ruirui Wang, Yun Wu. Study on gas chromatography-mass spectrometry fingerprint of Acanthopanax brachypus. Journal of chromatographic science. 2014 Sep; 52(8):759-65. doi: 10.1093/chromsci/bmt137. [PMID: 24076562]
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