Isogentisin (BioDeep_00000007857)

human metabolite PANOMIX_OTCML-2023 Endogenous

代谢物信息卡片

9H-Xanthen-9-one, 1,3-dihydroxy-7-methoxy- (9ci)

化学式: C14H10O5 (258.052821)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 10%

分子结构信息

SMILES: COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O
InChI: InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3

描述信息

Isogentisin is found in alcoholic beverages. Isogentisin is isolated from roots of Gentiana lutea (yellow gentian

同义名列表

10 个代谢物同义名

9H-Xanthen-9-one, 1,3-dihydroxy-7-methoxy- (9ci); 1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one; 1,3-Dihydroxy-7-methoxy-xanthen-9-one; 1,3-Dihydroxy-7-methoxyxanthen-9-one; 1,3-Dihydroxy-7-methoxy-xanthone; 1,3-Dihydroxy--7-methoxyxanthone; 1,3-Dihydroxy-7-methoxyxanthone; Isogentisine; Iso-gentisin; Isogentisin

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:6017
KEGG: C10070
PubChem: 5281640
HMDB: HMDB0030871
Metlin: METLIN68111
ChEMBL: CHEMBL4163822
KNApSAcK: C00002957
foodb: FDB002832
chemspider: 4444959
CAS: 491-64-5
PMhub: MS000021361
PubChem: 12256
3DMET: B03512
NIKKAJI: J11.768D

分类词条

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)

18 个相关的物种来源信息

49935 - Gentiana asclepiadea: 10.1007/BF00630332
38851 - Gentiana lutea:
1085736 - Gentiana orbicularis: 10.1016/0305-1978(82)90006-0
49940 - Gentianella campestris: 10.1016/0305-1978(82)90006-0
208027 - Gentianella serotina: 10.1016/0305-1978(82)90006-0
156522 - Gentianopsis barbata: 10.1016/0305-1978(82)90006-0
2884939 - Gentianopsis barbata var. stenocalyx: 10.1016/0305-1978(82)90006-0
49941 - Gentianopsis ciliata: 10.1016/0305-1978(82)90006-0
84894 - Gentianopsis crinita: 10.1016/0305-1978(82)90006-0
669700 - Gentianopsis detonsa: 10.1016/0305-1978(82)90006-0
50801 - Gentianopsis grandis: 10.1016/0305-1978(82)90006-0
866904 - Gentianopsis lanceolata: 10.1016/0305-1978(82)90006-0
50802 - Gentianopsis paludosa: 10.1016/0305-1978(82)90006-0
866906 - Gentianopsis thermalis: 10.1016/0305-1978(82)90006-0
2065894 - Gentianopsis virgata: 10.1016/0305-1978(82)90006-0
9606 - Homo sapiens: -
690779 - Polygala cyparissias: 10.1016/S0031-9422(98)00051-X
39380 - Swertia petiolata:

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

Bethanie Dean, Gemma Cooper, Maitreyi Shivkumar, Timothy J Snape. Hydroxy-xanthones as promising antiviral agents: Synthesis and biological evaluation against human coronavirus OC43. Bioorganic & medicinal chemistry letters. 2023 03; 84(?):129211. doi: 10.1016/j.bmcl.2023.129211. [PMID: 36863494]
Miloš S Jovanović, Nemanja Krgović, Katarina Šavikin, Jelena Živković. Ultrasound-Assisted Water Extraction of Gentiopicroside, Isogentisin, and Polyphenols from Willow Gentian "Dust" Supported by Hydroxypropyl-β-Cyclodextrin as Cage Molecules. Molecules (Basel, Switzerland). 2022 Nov; 27(21):. doi: 10.3390/molecules27217606. [PMID: 36364433]
Jie Liu, Cao Zhang, Huailing Wang, Lei Zhang, Zhenlei Jiang, Jianrun Zhang, Zhijun Liu, Heru Chen. Incorporation of nitric oxide donor into 1,3-dioxyxanthones leads to synergistic anticancer activity. European journal of medicinal chemistry. 2018 May; 151(?):158-172. doi: 10.1016/j.ejmech.2018.03.072. [PMID: 29609121]
Chaohong Yin, Longwei Xie, Yun Guo. Phytochemical analysis and antibacterial activity of Gentiana macrophylla extract against bacteria isolated from burn wound infections. Microbial pathogenesis. 2018 Jan; 114(?):25-28. doi: 10.1016/j.micpath.2017.10.049. [PMID: 29111322]
Ahmed M Mustafa, Giovanni Caprioli, Massimo Ricciutelli, Filippo Maggi, Rosa Marín, Sauro Vittori, Gianni Sagratini. Comparative HPLC/ESI-MS and HPLC/DAD study of different populations of cultivated, wild and commercial Gentiana lutea L. Food chemistry. 2015 May; 174(?):426-33. doi: 10.1016/j.foodchem.2014.11.089. [PMID: 25529701]
Luiz C Klein-Júnior, Nicole A Meira, Tania M B Bresolin, Valdir Cechinel-Filho, Nara L M Quintão. Antihyperalgesic activity of the methanol extract and some constituents obtained from Polygala cyparissias (Polygalaceae). Basic & clinical pharmacology & toxicology. 2012 Sep; 111(3):145-53. doi: 10.1111/j.1742-7843.2012.00876.x. [PMID: 22381005]
Luiz Carlos Klein, Renan Becker Gandolfi, José Roberto Santin, Marivane Lemos, Valdir Cechinel Filho, Sérgio Faloni de Andrade. Antiulcerogenic activity of extract, fractions, and some compounds obtained from Polygala cyparissias St. Hillaire & Moquin (Polygalaceae). Naunyn-Schmiedeberg's archives of pharmacology. 2010 Feb; 381(2):121-6. doi: 10.1007/s00210-009-0485-x. [PMID: 20054524]
Luciano S Capettini, Lucas Vicente A Campos, Marcelo H Dos Santos, Tanus J Nagem, Virgínia S Lemos, Steyner F Cortes. Vasodilator and antioxidant effect of xanthones isolated from Brazilian medicinal plants. Planta medica. 2009 Feb; 75(2):145-8. doi: 10.1055/s-0028-1088388. [PMID: 19090455]
Astrid Schmieder, Stefan Schwaiger, Adam Csordas, Aleksandar Backovic, Barbara Messner, Georg Wick, Hermann Stuppner, David Bernhard. Isogentisin--a novel compound for the prevention of smoking-caused endothelial injury. Atherosclerosis. 2007 Oct; 194(2):317-25. doi: 10.1016/j.atherosclerosis.2006.10.019. [PMID: 17141243]
Stefano Dall'Acqua, Giampietro Viola, Elsa Mariella Cappelletti, Gabbriella Innocenti. Xanthones from Polygala alpestris (Rchb.). Zeitschrift fur Naturforschung. C, Journal of biosciences. 2004 May; 59(5-6):335-8. doi: 10.1515/znc-2004-5-608. [PMID: 18998397]
I Morimoto, T Nozaka, F Watanabe, M Ishino, Y Hirose, T Okitsu. Mutagenic activities of gentisin and isogentisin from Gentianae radix (Gentianaceae). Mutation research. 1983 Feb; 116(2):103-17. doi: 10.1016/0165-1218(83)90101-5. [PMID: 6338357]