Benzyl salicylate (BioDeep_00000022587)

Main id: BioDeep_00000395760

 

human metabolite PANOMIX_OTCML-2023 Endogenous natural product


代谢物信息卡片


Benzoic acid, 2-hydroxy-, phenylmethyl ester

化学式: C14H12O3 (228.0786402)
中文名称: 水杨酸苄酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

描述信息

Benzyl salicylate is found in cloves. Benzyl salicylate is isolated from essential oils e.g. Dianthus caryophyllus, Populus, Primula species Fixative in perfumes and flavourings Benzyl salicylate is a salicylic acid benzyl ester, a chemical compound most frequently used in cosmetics. It appears as an almost colourless liquid and is rather faint or odorless in nature
Isolated from essential oils e.g. Dianthus caryophyllus, Populus, Primula subspecies Fixative in perfumes and flavourings
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber.
Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber.

同义名列表

14 个代谢物同义名

Benzoic acid, 2-hydroxy-, phenylmethyl ester; 2-Hydroxybenzoic acid, phenylmethyl ester; Phenylmethyl 2-hydroxybenzoate; Salicyclic acid, benzyl ester; Salicylic acid, benzyl ester; Benzyl 2-hydroxybenzoic acid; Salicyclic acid benzyl ester; Benzyl O-hydroxybenzoate; Benzyl 2-hydroxybenzoate; Benzyl salicylic acid; Benzyle salicylate; Benzyl salicylate; FEMA 2151; NSC 6647



数据库引用编号

13 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。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

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PharmGKB(0)

72 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

  • Seon-Mi Seo, Jae-Woo Lee, Jonghyun Shin, Jun-Hyung Tak, Jinho Hyun, Il-Kwon Park. Development of cellulose nanocrystal-stabilized Pickering emulsions of massoia and nutmeg essential oils for the control of Aedes albopictus. Scientific reports. 2021 06; 11(1):12038. doi: 10.1038/s41598-021-91442-6. [PMID: 34103581]
  • Samuel Collins, Thomas James, Felicity Southworth, Louise Davidson, Natalie Williams, Emily Orchard, Tim Marczylo, Richard Amlôt. Human volunteer study of the decontamination of chemically contaminated hair and the consequences for systemic exposure. Scientific reports. 2020 11; 10(1):20822. doi: 10.1038/s41598-020-77930-1. [PMID: 33257756]
  • Dariya D Fedorova, Dariya S Nazarova, David L Avetyan, Andrey Shatskiy, Maxim L Belyanin, Markus D Kärkäs, Elena V Stepanova. Divergent Synthesis of Natural Benzyl Salicylate and Benzyl Gentisate Glucosides. Journal of natural products. 2020 10; 83(10):3173-3180. doi: 10.1021/acs.jnatprod.0c00838. [PMID: 33008263]
  • Thomas James, Samuel Collins, Richard Amlôt, Tim Marczylo. Analysis of Chemical Simulants in Urine: A Useful Tool for Assessing Emergency Decontamination Efficacy in Human Volunteer Studies. Prehospital and disaster medicine. 2020 Oct; 35(5):482-487. doi: 10.1017/s1049023x20000825. [PMID: 32600477]
  • Hitomi Ozaki, Kazumi Sugihara, Yuki Tamura, Chieri Fujino, Yoko Watanabe, Naoto Uramaru, Tomomichi Sone, Shigeru Ohta, Shigeyuki Kitamura. Hydrolytic metabolism of phenyl and benzyl salicylates, fragrances and flavoring agents in foods, by microsomes of rat and human tissues. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2015 Dec; 86(?):116-23. doi: 10.1016/j.fct.2015.08.024. [PMID: 26321725]
  • Tara La Roche Salter, Josephine Bunch, Ian S Gilmore. Importance of sample form and surface temperature for analysis by ambient plasma mass spectrometry (PADI). Analytical chemistry. 2014 Sep; 86(18):9264-70. doi: 10.1021/ac502363v. [PMID: 25137443]
  • Yutaka Kameda, Kumiko Kimura, Motonobu Miyazaki. Occurrence and profiles of organic sun-blocking agents in surface waters and sediments in Japanese rivers and lakes. Environmental pollution (Barking, Essex : 1987). 2011 Jun; 159(6):1570-6. doi: 10.1016/j.envpol.2011.02.055. [PMID: 21429641]
  • Karina Caballero-Gallardo, Jesús Olivero-Verbel, Elena E Stashenko. Repellent activity of essential oils and some of their individual constituents against Tribolium castaneum herbst. Journal of agricultural and food chemistry. 2011 Mar; 59(5):1690-6. doi: 10.1021/jf103937p. [PMID: 21291237]
  • Andrea Aliboni, Armando D'Andrea, Paolo Massanisso. Propolis specimens from different locations of central Italy: chemical profiling and gas chromatography-mass spectrometry (GC-MS) quantitative analysis of the allergenic esters benzyl cinnamate and benzyl salicylate. Journal of agricultural and food chemistry. 2011 Jan; 59(1):282-8. doi: 10.1021/jf1034866. [PMID: 21126078]
  • Helen L Rose, Caroline A Dewey, Morgan S Ely, Sarah L Willoughby, Tanya M Parsons, Victoria Cox, Phillippa M Spencer, Simon A Weller. Comparison of eight methods for the extraction of Bacillus atrophaeus spore DNA from eleven common interferents and a common swab. PloS one. 2011; 6(7):e22668. doi: 10.1371/journal.pone.0022668. [PMID: 21818364]
  • Aurélie Urbain, Pierre Corbeiller, Nektarios Aligiannis, Maria Halabalaki, Alexios-Leandros Skaltsounis. Hydrostatic countercurrent chromatography and ultra high pressure LC: Two fast complementary separation methods for the preparative isolation and the analysis of the fragrant massoia lactones. Journal of separation science. 2010 May; 33(9):1198-203. doi: 10.1002/jssc.200900818. [PMID: 20235136]
  • Norbert A Braun, Birgit Kohlenberg, Sherina Sim, Manfred Meier, Franz-Josef Hammerschmidt. Jasminum flexile flower absolute from India--a detailed comparison with three other jasmine absolutes. Natural product communications. 2009 Sep; 4(9):1239-50. doi: ". [PMID: 19831037]
  • Susanna Roeder, Anna-Maria Hartmann, Uta Effmert, Birgit Piechulla. Regulation of simultaneous synthesis of floral scent terpenoids by the 1,8-cineole synthase of Nicotiana suaveolens. Plant molecular biology. 2007 Sep; 65(1-2):107-24. doi: 10.1007/s11103-007-9202-7. [PMID: 17611797]
  • Roumen Christov, Boryana Trusheva, Milena Popova, Vassya Bankova, Michel Bertrand. Chemical composition of propolis from Canada, its antiradical activity and plant origin. Natural product research. 2006 May; 20(6):531-6. doi: 10.1080/14786410500056918. [PMID: 16835083]
  • M Busquet, S Calsamiglia, A Ferret, C Kamel. Plant extracts affect in vitro rumen microbial fermentation. Journal of dairy science. 2006 Feb; 89(2):761-71. doi: 10.3168/jds.s0022-0302(06)72137-3. [PMID: 16428643]
  • Roumen Christov, Boryana Trusheva, Milena Popova, Vassya Bankova, Michel Bertrand. Chemical composition of propolis from Canada, its antiradical activity and plant origin. Natural product research. 2005 Oct; 19(7):673-8. doi: 10.1080/14786410512331328159. [PMID: 16076637]
  • F Urbach. The historical aspects of sunscreens. Journal of photochemistry and photobiology. B, Biology. 2001 Nov; 64(2-3):99-104. doi: 10.1016/s1011-1344(01)00202-0. [PMID: 11744395]