Isovanillic acid (BioDeep_00000017816)

human metabolite PANOMIX_OTCML-2023 blood metabolite

代谢物信息卡片

3-Hydroxy-4-methoxybenzoic acid

化学式: C8H8O4 (168.0422568)
中文名称: 3-羟基-4-甲氧基苯甲酸, 异香兰酸
谱图信息: 最多检出来源 () 0%

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

Isovanillic acid is a metabolite of isovanillin. Isovanillin is a phenolic aldehyde, an organic compound and isomer of vanillin. It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid. (Wikipedia)
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

9 个代谢物同义名

3-Hydroxy-4-methoxybenzoic acid; 3-Hydroxy-4-methoxybenzoate; 3-Hydroxy-p-anisic acid; 3-Hydroxyanisic acid; Acide isovanillique; 3-Hydroxy-p-anisate; 3-Hydroxyanisate; isovanillic acid; Isovanillate

数据库引用编号

8 个数据库交叉引用编号

ChEBI: CHEBI:63798
PubChem: 12575
HMDB: HMDB0060003
ChEMBL: CHEMBL88700
CAS: 74309-78-7
CAS: 645-08-9
PMhub: MS000000389
medchemexpress: HY-N6864

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)

69 个相关的物种来源信息

29760 Vitis vinifera: 10.3389/FMICB.2017.00457
3311 Ginkgo biloba: 10.1081/JLC-100101744
282539 Hypericum erectum: 10.1007/S11418-008-0256-X
49314 Annona cherimola: 10.1002/JCCS.199900010
3435 Persea americana: 10.1021/JF00078A018
1357617 Scrophularia frutescens:
183030 Galinsoga quadriradiata: 10.1007/BF00564480
3743 Synsepalum dulcificum: 10.1007/S10600-010-9639-9
82528 Crocus sativus: 10.1021/NP0302854
228520 Cheniella glauca: 10.1016/J.BMCL.2015.05.089
45171 Paeonia suffruticosa: 10.1002/JCCS.200000051
1123437 Annona purpurea:
2291105 Vincetoxicum hemsleyanum:
71647 Pinus pinaster: 10.1515/HF.1999.096
1883 Streptomyces: 10.1002/MBO3.859
328401 Zanthoxylum bungeanum: 10.1002/PTR.2650070111
53852 Cassia fistula: 10.1002/JCCS.200100154
589831 Cota palaestina: 10.1021/NP9004129
996406 Soroseris hookeriana: 10.1055/S-2000-8607
35974 Santalum album: 10.1248/CPB.53.641
291326 Scrophularia ningpoensis: 10.1016/J.PHYTOCHEM.2005.03.023
158550 Aristolochia kaempferi: 10.1248/CPB.48.357
431268 Aristolochia heterophylla: 10.1248/CPB.48.357
3809 Acacia confusa: 10.1021/JF050550M
1333940 Euphorbia polycaulis: 10.1002/MRC.2795
1031519 Euphorbia decipiens: 10.1002/MRC.2795
80369 Imperata cylindrica: 10.1021/JF902310J
1679397 Calophyllum polyanthum: 10.1080/10286020.2010.484806
3866 Leucaena leucocephala: 10.1007/S10600-011-9862-Z
45164 Muntingia calabura: 10.1055/S-2007-967196
163100 Parmentiera cereifera: 10.1016/J.PHYTOL.2014.04.013
179837 Perilla frutescens var. crispa: 10.1016/J.FOODCHEM.2013.10.028
29760 Vitis vinifera: 10.3389/FMICB.2017.00457
3311 Ginkgo biloba: 10.1081/JLC-100101744
282539 Hypericum erectum: 10.1007/S11418-008-0256-X
49314 Annona cherimola: 10.1002/JCCS.199900010
3435 Persea americana: 10.1021/JF00078A018
1357617 Scrophularia frutescens:
183030 Galinsoga quadriradiata: 10.1007/BF00564480
3743 Synsepalum dulcificum: 10.1007/S10600-010-9639-9
82528 Crocus sativus: 10.1021/NP0302854
228520 Cheniella glauca: 10.1016/J.BMCL.2015.05.089
45171 Paeonia suffruticosa: 10.1002/JCCS.200000051
1123437 Annona purpurea:
2291105 Vincetoxicum hemsleyanum:
71647 Pinus pinaster: 10.1515/HF.1999.096
1883 Streptomyces: 10.1002/MBO3.859
328401 Zanthoxylum bungeanum: 10.1002/PTR.2650070111
53852 Cassia fistula: 10.1002/JCCS.200100154
589831 Cota palaestina: 10.1021/NP9004129
996406 Soroseris hookeriana: 10.1055/S-2000-8607
35974 Santalum album: 10.1248/CPB.53.641
291326 Scrophularia ningpoensis: 10.1016/J.PHYTOCHEM.2005.03.023
158550 Aristolochia kaempferi: 10.1248/CPB.48.357
431268 Aristolochia heterophylla: 10.1248/CPB.48.357
3809 Acacia confusa: 10.1021/JF050550M
1333940 Euphorbia polycaulis: 10.1002/MRC.2795
1031519 Euphorbia decipiens: 10.1002/MRC.2795
80369 Imperata cylindrica: 10.1021/JF902310J
1679397 Calophyllum polyanthum: 10.1080/10286020.2010.484806
3866 Leucaena leucocephala: 10.1007/S10600-011-9862-Z
45164 Muntingia calabura: 10.1055/S-2007-967196
163100 Parmentiera cereifera: 10.1016/J.PHYTOL.2014.04.013
179837 Perilla frutescens var. crispa: 10.1016/J.FOODCHEM.2013.10.028
9606 Homo sapiens: -
85571 Citrus Reticulata: -
291326 Scrophularia ningpoensis Hemsl.: -
180498 Jatropha curcas: -
33090 Plants: -

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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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]
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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]
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