Homosalate (BioDeep_00000179805)
human metabolite blood metabolite Industrial Pollutants Volatile Flavor Compounds
代谢物信息卡片
化学式: C16H22O3 (262.15688620000003)
中文名称: 3,3,5-三甲基环己基水杨酸酯 (顺反混合物), 3,3,5-三甲基环己基水杨酸酯, 原膜散酯
谱图信息:
最多检出来源 Homo sapiens(blood) 0.95%
分子结构信息
SMILES: CC1CC(CC(C)(C)C1)OC(=O)C1=CC=CC=C1O
InChI: InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
描述信息
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents
C1892 - Chemopreventive Agent > C851 - Sunscreen
D003879 - Dermatologic Agents
D003358 - Cosmetics
同义名列表
数据库引用编号
7 个数据库交叉引用编号
- ChEBI: CHEBI:91642
- PubChem: 8362
- HMDB: HMDB0253209
- DrugBank: DB11064
- ChEMBL: CHEMBL1377575
- CAS: 52253-93-7
- CAS: 118-56-9
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
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)
1 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
- Katharina E Ebert, Vladimir N Belov, Tobias Weiss, Thomas Brüning, Heiko Hayen, Holger M Koch, Daniel Bury. Determination of urinary metabolites of the UV filter homosalate by online-SPE-LC-MS/MS.
Analytica chimica acta.
2021 Sep; 1176(?):338754. doi:
10.1016/j.aca.2021.338754. [PMID: 34399889] - Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
Cell reports.
2021 04; 35(4):109040. doi:
10.1016/j.celrep.2021.109040. [PMID: 33910017] - Murali K Matta, Jeffry Florian, Robbert Zusterzeel, Nageswara R Pilli, Vikram Patel, Donna A Volpe, Yang Yang, Luke Oh, Edward Bashaw, Issam Zineh, Carlos Sanabria, Sarah Kemp, Anthony Godfrey, Steven Adah, Sergio Coelho, Jian Wang, Lesley-Anne Furlong, Charles Ganley, Theresa Michele, David G Strauss. Effect of Sunscreen Application on Plasma Concentration of Sunscreen Active Ingredients: A Randomized Clinical Trial.
JAMA.
2020 01; 323(3):256-267. doi:
10.1001/jama.2019.20747. [PMID: 31961417] - Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology.
2019 11; 96(5):629-640. doi:
10.1124/mol.119.115964. [PMID: 31515284] - Changwon Yang, Whasun Lim, Fuller W Bazer, Gwonhwa Song. Homosalate aggravates the invasion of human trophoblast cells as well as regulates intracellular signaling pathways including PI3K/AKT and MAPK pathways.
Environmental pollution (Barking, Essex : 1987).
2018 Dec; 243(Pt B):1263-1273. doi:
10.1016/j.envpol.2018.09.092. [PMID: 30267922] - Meltem Erol, Ismet Çok, Özlem Bostan Gayret, Pembegül Günes, Özgül Yigit, Elif Sayman, Aysegül Günes, Duygu Sultan Çelik, Sahin Hamilçikan, Serdar Altinay, Oya Ercan. Evaluation of the endocrine-disrupting effects of homosalate (HMS) and 2-ethylhexyl 4-dimethylaminobenzoate (OD-PABA) in rat pups during the prenatal, lactation, and early postnatal periods.
Toxicology and industrial health.
2017 Oct; 33(10):775-791. doi:
10.1177/0748233717718974. [PMID: 28879804] - Tae Hwan Kim, Beom Soo Shin, Kyu-Bong Kim, Seung Woo Shin, Su Hyun Seok, Min Kyu Kim, Eun Jung Kim, Dojung Kim, Min Gi Kim, Eun-Seok Park, Ju-Young Kim, Sun Dong Yoo. Percutaneous absorption, disposition, and exposure assessment of homosalate, a UV filtering agent, in rats.
Journal of toxicology and environmental health. Part A.
2014; 77(4):202-13. doi:
10.1080/15287394.2013.861376. [PMID: 24555679] - M Krause, A Klit, M Blomberg Jensen, T Søeborg, H Frederiksen, M Schlumpf, W Lichtensteiger, N E Skakkebaek, K T Drzewiecki. Sunscreens: are they beneficial for health? An overview of endocrine disrupting properties of UV-filters.
International journal of andrology.
2012 Jun; 35(3):424-36. doi:
10.1111/j.1365-2605.2012.01280.x. [PMID: 22612478] - 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] - Vikram Sarveiya, Stacey Risk, Heather A E Benson. Liquid chromatographic assay for common sunscreen agents: application to in vivo assessment of skin penetration and systemic absorption in human volunteers.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2004 Apr; 803(2):225-31. doi:
10.1016/j.jchromb.2003.12.022. [PMID: 15063329] - H J Hilderson, M J De Wolf, A R Lagrou, W S Dierick. Subcellular structure of bovine thyroid gland. A study on bovine thyroid membranes by buoyant-density-gradient centrifugation in a B-XIV zonal rotor.
The Biochemical journal.
1975 Dec; 152(3):601-7. doi:
10.1042/bj1520601. [PMID: 5997]