2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one (BioDeep_00000007885)

 

Secondary id: BioDeep_00000270610

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; 5,6,3,4-Tetrahydroxy-7-methoxyflavone; 6-Hydroxyluteolin-7-methyl ether

化学式: C16H12O7 (316.05830019999996)
中文名称: 5,6,3,4-四羟基-7-甲氧基黄酮, 5,6,3',4'-四羟基-7-甲氧基黄酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 12.5%

分子结构信息

SMILES: c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)O)OC
InChI: InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3

描述信息

Pedalitin is a tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3,-4,-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a metabolite. It is a tetrahydroxyflavone and a monomethoxyflavone.
Pedalitin is a natural product found in Teucrium hircanicum, Tanacetum vulgare, and other organisms with data available.
A tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3,-4,-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa.
2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is found in fats and oils. 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is isolated from Sesamum indicum (sesame
Isolated from Sesamum indicum (sesame). 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is found in fats and oils and sesame.

同义名列表

17 个代谢物同义名

2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; 5,6,3,4-Tetrahydroxy-7-methoxyflavone; 6-Hydroxyluteolin-7-methyl ether; 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, 9CI; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one #; 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one; FLAVONE, 3,4,5,6-TETRAHYDROXY-7-METHOXY-; 3,4,5,6-Tetrahydroxy-7-methoxy-Flavone; 3,4,5,6-Tetrahydroxy-7-methoxyflavone; 5,6,3,4-Tetrahydroxy-7-methoxyflavone; 6-HYDROXYLUTEOLIN-7-METHYL ETHER; 6-Hydroxyluteolin 6-methyl ether; QWUHUBDKQQPMQG-UHFFFAOYSA-N; UNII-DS9S9Z36F2; DS9S9Z36F2; Pedalitin



数据库引用编号

18 个数据库交叉引用编号

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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INOH(0)

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44 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

  • Gabin Thierry M Bitchagno, Anja Schüffler, Jonathan Gross, Matthias Krumb, Pierre Tane, Till Opatz. Sesquiterpene Lactones from Vernonia tufnelliae: Structural Characterization and Biological Evaluation. Journal of natural products. 2022 07; 85(7):1681-1690. doi: 10.1021/acs.jnatprod.2c00055. [PMID: 35704432]
  • Takashi Ohtsuki, Kiyoaki Matsuoka, Yushiro Fuji, Yuzo Nishizaki, Naoko Masumoto, Naoki Sugimoto, Kyoko Sato, Hiroshi Matsufuji. Development of an HPLC method with relative molar sensitivity based on 1H-qNMR to determine acteoside and pedaliin in dried sesame leaf powders and processed foods. PloS one. 2020; 15(12):e0243175. doi: 10.1371/journal.pone.0243175. [PMID: 33270771]
  • Yannan Li, Jing Ning, Yan Wang, Chao Wang, Chengpeng Sun, Xiaokui Huo, Zhenlong Yu, Lei Feng, Baojing Zhang, Xiangge Tian, Xiaochi Ma. Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects. Toxicology letters. 2018 Sep; 294(?):27-36. doi: 10.1016/j.toxlet.2018.05.008. [PMID: 29753067]
  • Laura Flores-Bocanegra, Martin González-Andrade, Robert Bye, Edelmira Linares, Rachel Mata. α-Glucosidase Inhibitors from Salvia circinata. Journal of natural products. 2017 05; 80(5):1584-1593. doi: 10.1021/acs.jnatprod.7b00155. [PMID: 28422509]
  • Tsui-Ling Chang, Hsiou-Yu Ding, Kang-Ning Teng, Yi-Chen Fang. 5,6,3',4'-Tetrahydroxy-7-methoxyflavone as a novel potential proteasome inhibitor. Planta medica. 2010 Jul; 76(10):987-94. doi: 10.1055/s-0029-1240899. [PMID: 20195959]
  • Takahiko Isobe, Kumiko Nagata. [Study on the antibacterial activity of compounds from the isodon species]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 2010 Mar; 130(3):447-50. doi: 10.1248/yakushi.130.447. [PMID: 20190530]
  • Yerra Koteswara Rao, Shih-Hua Fang, Shih-Chuan Hsieh, Tsung-Hsien Yeh, Yew-Min Tzeng. The constituents of Anisomeles indica and their anti-inflammatory activities. Journal of ethnopharmacology. 2009 Jan; 121(2):292-6. doi: 10.1016/j.jep.2008.10.032. [PMID: 19041702]
  • Yanhui Meng, Amanda J Krzysiak, Michael J Durako, Jennifer I Kunzelman, Jeffrey L C Wright. Flavones and flavone glycosides from Halophila johnsonii. Phytochemistry. 2008 Oct; 69(14):2603-8. doi: 10.1016/j.phytochem.2008.07.007. [PMID: 18771781]
  • Teruhiko Nitoda, Takahiko Isobe, Isao Kubo. Effects of phenolic compounds isolated from Rabdosia japonica on B16-F10 melanoma cells. Phytotherapy research : PTR. 2008 Jul; 22(7):867-72. doi: 10.1002/ptr.2373. [PMID: 18567053]
  • Daniara Cristina Fernandes, Luis Octávio Regasini, José Carlos Rebuglio Vellosa, Patrícia Mendonça Pauletti, Ian Castro-Gamboa, Vanderlan Silva Bolzani, Olga Maria Mascarenhas Oliveira, Dulce Helena Siqueira Silva. Myeloperoxidase inhibitory and radical scavenging activities of flavones from Pterogyne nitens. Chemical & pharmaceutical bulletin. 2008 May; 56(5):723-6. doi: 10.1248/cpb.56.723. [PMID: 18451567]
  • Nasim Sultana, A J Afolayan. A novel daucosterol derivative and antibacterial activity of compounds from Arctotis arctotoides. Natural product research. 2007 Aug; 21(10):889-96. doi: 10.1080/14786410601129606. [PMID: 17680499]
  • Yong-Mei Hu, Hao Wang, Wen-Cai Ye, Shou-Xun Zhao. [Flavones from flowers of Sesamum indicum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Apr; 32(7):603-5. doi: . [PMID: 17583201]
  • Noriyoshi Masuoka, Takahiko Isobe, Isao Kubo. Antioxidants from Rabdosia japonica. Phytotherapy research : PTR. 2006 Mar; 20(3):206-13. doi: 10.1002/ptr.1835. [PMID: 16521110]
  • Sheng Lin, Yong-qing Xiao, Qi-wei Zhang, Ning-ning Zhang. [Studies on chemical constituents in bud of Artemisia scoparia (II)]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2004 Feb; 29(2):152-4. doi: . [PMID: 15719683]
  • Quan-Bin Han, Ai-Hua Zhao, Ji-Xia Zhang, Yang Lu, Li-Li Zhang, Qi-Tai Zheng, Han-Dong Sun. Cytotoxic constituents of Isodon rubescens var. lushiensis. Journal of natural products. 2003 Oct; 66(10):1391-4. doi: 10.1021/np030165w. [PMID: 14575445]
  • Bei Jiang, Ai-Jun Hou, Ma-Lin Li, Sheng-Hong Li, Quan-Bin Han, Su-Jun Wang, Zhong-Wen Lin, Han-Dong Sun. Cytotoxic ent-kaurane diterpenoids from Isodon sculponeata. Planta medica. 2002 Oct; 68(10):921-5. doi: 10.1055/s-2002-34921. [PMID: 12391557]