Isovanillic (BioDeep_00000017260)

 

Secondary id: BioDeep_00000017816, BioDeep_00000264978

human metabolite PANOMIX_OTCML-2023 blood metabolite


代谢物信息卡片


InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11

化学式: C8H8O4 (168.0422568)
中文名称: 3-羟基-4-甲氧基苯甲酸, 异香草酸, 异香兰酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 6.12%

分子结构信息

SMILES: COC1=C(C=C(C=C1)C(=O)O)O
InChI: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

描述信息

3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate.
3-Hydroxy-4-methoxybenzoic acid is a natural product found in Euphorbia decipiens, Annona purpurea, and other organisms with data available.
A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.
Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].
Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

同义名列表

16 个代谢物同义名

InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11; 3-hydroxy-4-(methyloxy)benzoic acid; Benzoic acid, 3-hydroxy-4-methoxy-; 3-Hydroxy-4-Methoxy Benzoic Acid; 3-Hydroxy-4-methoxy-benzoic acid; 3-hydroxyl-4-methoxybenzoic acid; 3-Hydroxy-4-methoxybenzoic acid; p-Anisic acid, 3-hydroxy-; 3-Hydroxy-p-anisic acid; Isovanillic acid, 97\\%; 3-Hydroxyanisic acid; Acide isovanillique; isovanillic acid; UNII-A8D1DUX2PR; Isovanillic; A8D1DUX2PR



数据库引用编号

11 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

1 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(1)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

39 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

  • Marzanna Hęś, Artur Szwengiel, Krzysztof Dziedzic, Joanna Le Thanh-Blicharz, Dominik Kmiecik, Danuta Górecka. The Effect of Buckwheat Hull Extract on Lipid Oxidation in Frozen-Stored Meat Products. Journal of food science. 2017 Apr; 82(4):882-889. doi: 10.1111/1750-3841.13682. [PMID: 28272837]
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  • Yi-ping Jiang, Hua Li, Xue-zhi Pan, Xue-gang Sun, Qing-fa Tang, Meng Shao. [Chemical constituents from the roots of Ilex pubescens]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2013 Nov; 36(11):1774-8. doi: ". [PMID: 24956816]
  • Min Gi Kim, Deok-Kyu Hwang, Hyeon-Uk Jeong, Hye Young Ji, Sei-Ryang Oh, Yongnam Lee, Ji Seok Yoo, Dae Hee Shin, Hye Suk Lee. In vitro and in vivo metabolism of verproside in rats. Molecules (Basel, Switzerland). 2012 Oct; 17(10):11990-2002. doi: 10.3390/molecules171011990. [PMID: 23085650]
  • Mei-Xian Xiang, Ya-Jing Hu, Yun-Jun Yan. [Study on chemical composition of ethylacetate fraction from Polygonum amplexicaule var. sinense]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2012 Oct; 35(10):1610-4. doi: . [PMID: 23627126]
  • Sumayya Saied, Shazia Shah, Zulfiqar Ali, Ajmal Khan, Bishnu P Marasini, Muhammad Iqbal Choudhary. Chemical constituents of Cichorium intybus and their inhibitory effects against urease and alpha-chymotrypsin enzymes. Natural product communications. 2011 Aug; 6(8):1117-20. doi: . [PMID: 21922913]
  • Chung-Yi Chen, Yu-Ting Yeh, Woei-Ling Yang. Amides from the stem of Capsicum annuum. Natural product communications. 2011 Feb; 6(2):227-9. doi: . [PMID: 21425680]
  • Qi-kang Ya, Wen-jie Lu, Jia-yuan Chen, Xiao Tan. [Studies on the chemical constituents from the antithrombus activity extract of Radix Aerio Fici Microcarpae]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2010 Aug; 33(8):1254-6. doi: ". [PMID: 21213536]
  • Chuang Liu, Kun Zou, Zhiyong Guo, Yuying Zhao, Fan Cheng, Hongqi Zhang. [Chemical constituents from leaves of Boehmeria nivea]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2010 Jun; 35(11):1432-4. doi: 10.4268/cjcmm20101116. [PMID: 20822015]
  • Ilkka Reenilä, Pekka Rauhala. Simultaneous analysis of catechol-O-methyl transferase activity, S-adenosylhomocysteine and adenosine. Biomedical chromatography : BMC. 2010 Mar; 24(3):294-300. doi: 10.1002/bmc.1288. [PMID: 19629963]
  • Jillian M Hagel, Peter J Facchini. Biochemistry and occurrence of o-demethylation in plant metabolism. Frontiers in physiology. 2010; 1(?):14. doi: 10.3389/fphys.2010.00014. [PMID: 21423357]
  • Lin Chen, Wenyi Kang. [Chemical constituents from Aeschynanthus longicaullis]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2009 Nov; 34(21):2758-60. doi: . [PMID: 20209909]
  • Xu-hong Yang, Huai-biao Li, Hong Chen, Ping Li, Bo-ping Ye. [Chemical constituents in the leave of Rhizophora stylosa L and their biological activities]. Yao xue xue bao = Acta pharmaceutica Sinica. 2008 Sep; 43(9):974-8. doi: ". [PMID: 19048793]
  • Victor Kuete, Robert Metuno, Bathélémy Ngameni, Armelle Mbaveng Tsafack, François Ngandeu, Ghislain Wabo Fotso, Merhatibeb Bezabih, François-Xavier Etoa, Bonaventure Tchaleu Ngadjui, Berhanu M Abegaz, Véronique Penlap Beng. Antimicrobial activity of the methanolic extracts and compounds from Treculia obovoidea (Moraceae). Journal of ethnopharmacology. 2007 Jul; 112(3):531-6. doi: 10.1016/j.jep.2007.04.010. [PMID: 17532157]
  • Chao-Bin Xue, Li Zhang, Wan-Chun Luo, Xian-Ye Xie, Lin Jiang, Ting Xiao. 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry. 2007 Mar; 15(5):2006-15. doi: 10.1016/j.bmc.2006.12.038. [PMID: 17258462]
  • Xiao-ya Shang, Shuai Li, Ying-hong Wang, Su-juan Wang, Yong-chun Yang, Jian-gong Shi. [Chemical constitutents of Bauhinia aurea]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Dec; 31(23):1953-5. doi: ". [PMID: 17348187]
  • Jing-Jing Zhu, Chao-Feng Zhang, Mian Zhang, Zheng-Tao Wang. [Studies on chemical constituents in roots of Rumex dentatus]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Oct; 31(20):1691-3. doi: ". [PMID: 17225537]
  • Henrik T Simonsen, Anne Adsersen, Louise Berthelsen, Søren B Christensen, Alfonso Guzmán, Per Mølgaard. Ethnopharmacological evaluation of radal (leaves of Lomatia hirsuta) and isolation of 2-methoxyjuglone. BMC complementary and alternative medicine. 2006 Aug; 6(?):29. doi: 10.1186/1472-6882-6-29. [PMID: 16945129]
  • Wen-yi Kang, Bai-rang Zhang, Qi-tai Xu, Li Li, Xiao-jiang Hao. [Study on the chemical constituents of Mitragyna rotundifolia]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2006 Jun; 29(6):557-60. doi: ". [PMID: 17039876]
  • Anh-Tho Nguyen, Jeanine Fontaine, Hugues Malonne, Magda Claeys, Michel Luhmer, Pierre Duez. A sugar ester and an iridoid glycoside from Scrophularia ningpoensis. Phytochemistry. 2005 May; 66(10):1186-91. doi: 10.1016/j.phytochem.2005.03.023. [PMID: 15924924]
  • Mitsuo Miyazawa, Teruo Oshima, Katsuya Koshio, Yumi Itsuzaki, Jun Anzai. Tyrosinase inhibitor from black rice bran. Journal of agricultural and food chemistry. 2003 Nov; 51(24):6953-6. doi: 10.1021/jf030388s. [PMID: 14611153]
  • U Huss, T Ringbom, P Perera, L Bohlin, M Vasänge. Screening of ubiquitous plant constituents for COX-2 inhibition with a scintillation proximity based assay. Journal of natural products. 2002 Nov; 65(11):1517-21. doi: 10.1021/np020023m. [PMID: 12444669]
  • M A Fernández, M D García, M T Sáenz. Antibacterial activity of the phenolic acids fractions of Scrophularia frutescens and Scrophularia sambucifolia. Journal of ethnopharmacology. 1996 Jul; 53(1):11-4. doi: 10.1016/0378-8741(96)01419-5. [PMID: 8807471]
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  • M M Ames, C D Selassie, L C Woodson, J A Van Loon, C Hansch, R M Weinshilboum. Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. Journal of medicinal chemistry. 1986 Mar; 29(3):354-8. doi: 10.1021/jm00153a009. [PMID: 3950915]