Cucurbit[7]uril (BioDeep_00000177752)
human metabolite blood metabolite
代谢物信息卡片
1,4,6,8,10,12,14,16,18,20,22,24,26,28,31,33,36,38,41,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[22.18.21.1^{4,51}.1^{20,23}.1^{22,57}.1^{28,31}.1^{33,36}.1^{38,41}.1^{48,60}.0^{2,6}.0^{3,44}.0^{8,40}.0^{10,39}.0^{12,35}.0^{14,34}.0^{16,30}.0^{18,29}.0^{46,50}.0^{49,53}.0^{55,59}.0^{58,62}.0^{26,70}]heptacontane-5,9,13,17,21,25,43,47,52,56,61,67,68,69-tetradecone
化学式: C42H42N28O14 (1162.3435152000002)
中文名称: 葫芦[7]尿素水合物
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C\\%10N(C5=O)CN5C\\%11C\\%12N(C5=O)CN5C\\%13C\\%14N(C5=O)CN5C\\%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N\\%10CN\\%11C(=O)N\\%12CN\\%13C(=O)N\\%14CN\\%15C1=O
InChI: InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
描述信息
同义名列表
4 个代谢物同义名
1,4,6,8,10,12,14,16,18,20,22,24,26,28,31,33,36,38,41,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[22.18.21.1^{4,51}.1^{20,23}.1^{22,57}.1^{28,31}.1^{33,36}.1^{38,41}.1^{48,60}.0^{2,6}.0^{3,44}.0^{8,40}.0^{10,39}.0^{12,35}.0^{14,34}.0^{16,30}.0^{18,29}.0^{46,50}.0^{49,53}.0^{55,59}.0^{58,62}.0^{26,70}]heptacontane-5,9,13,17,21,25,43,47,52,56,61,67,68,69-tetradecone; Cucurbit[7]uril; Cucurbit(7)uril; cucurbituril
数据库引用编号
6 个数据库交叉引用编号
- ChEBI: CHEBI:51434
- PubChem: 6096207
- HMDB: HMDB0250578
- ChEMBL: CHEMBL3770339
- chemspider: 4806955
- CAS: 259886-50-5
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
- Min Peng, Yi Luo, Yutao Rao, Jianxin Song, Xin-Long Ni. Cucurbit[7]uril-Encapsulation-Controlled Supramolecular Photoproduct and Radical Fluorescence Emission.
Chemistry (Weinheim an der Bergstrasse, Germany).
2022 Nov; 28(61):e202202056. doi:
10.1002/chem.202202056. [PMID: 36053242] - Qing-Tian Ji, De-Kun Hu, Xian-Fu Mu, Xiao-Xue Tian, Li Zhou, Si Yao, Xiao-Hui Wang, Shu-Zhen Xiang, Hao-Jie Ye, Li-Jun Fan, Pei-Yi Wang. Cucurbit[7]uril-Mediated Supramolecular Bactericidal Nanoparticles: Their Assembly Process, Controlled Release, and Safe Treatment of Intractable Plant Bacterial Diseases.
Nano letters.
2022 06; 22(12):4839-4847. doi:
10.1021/acs.nanolett.2c01203. [PMID: 35667033] - Jaroslav Pejchal, Petr Jošt, Lubica Múčková, Rudolf Andrýs, Miroslav Lísa, Jana Zdarova Karasova. A systematic evaluation of the cucurbit[7]uril pharmacokinetics and toxicity after a single dose and short-term repeated administration in mice.
Archives of toxicology.
2022 05; 96(5):1411-1421. doi:
10.1007/s00204-022-03249-7. [PMID: 35220471] - Zhaorui Song, Xinhui Zhai, Chenrui Jiang, Rong Chen, Sijing Ye, Jinzhe Tong, Pierre Dramou, Hua He. Sensitive and selective detection of carbamazepine in serum samples by bionic double-antibody sandwich method based on cucurbit[7]uril and molecular imprinted polymers.
Biosensors & bioelectronics.
2022 May; 203(?):114037. doi:
10.1016/j.bios.2022.114037. [PMID: 35123315] - Felipe Andrade-Villalobos, Daniel Zúñiga-Núñez, Denis Fuentealba, Angelica Fierro. Binding of toluidine blue-myristic acid derivative to cucurbit[7]uril and human serum albumin: computational and biophysical insights towards a biosupramolecular assembly.
Physical chemistry chemical physics : PCCP.
2022 Feb; 24(5):3222-3230. doi:
10.1039/d1cp04307b. [PMID: 35044390] - Ara Lee, Meng Li, Young Ho Ko, Sanghwang Park, Jongcheol Seo, Kyeng Min Park, Kimoon Kim. Visualization of lipophagy using a supramolecular FRET pair.
Chemical communications (Cambridge, England).
2021 Nov; 57(91):12179-12182. doi:
10.1039/d1cc04779e. [PMID: 34730134] - José Robinson-Duggon, Christopher D McTiernan, Marcelo Muñoz, Daniel Guerra, Elizabeth Escobar Álvarez, Felipe Andrade-Villalobos, Angélica Fierro, Ana María Edwards, Emilio I Alarcon, Denis Fuentealba. Biosupramolecular complexes of amphiphilic photosensitizers with human serum albumin and cucurbit[7]uril as carriers for photodynamic therapy.
Journal of photochemistry and photobiology. B, Biology.
2021 Oct; 223(?):112284. doi:
10.1016/j.jphotobiol.2021.112284. [PMID: 34450362] - Goutam Chakraborty, Manoj K Choudhary, Mahesh Sundararajan, Alok K Ray, Soumyaditya Mula, Haridas Pal. Stimuli Responsive Confinement of a Molecular Rotor Based BODIPY Dye inside a Cucurbit[7]uril Nanocavity.
The journal of physical chemistry. B.
2021 07; 125(29):7946-7957. doi:
10.1021/acs.jpcb.1c02443. [PMID: 34270242] - Rudolf Andrýs, Aneta Klusoňová, Miroslav Lísa, Jiří Kassa, Jana Žd'árová Karasová. Effect of Oxime Encapsulation on Acetylcholinesterase Reactivation: Pharmacokinetic Study of the Asoxime-Cucurbit[7]uril Complex in Mice Using Hydrophilic Interaction Liquid Chromatography-Mass Spectrometry.
Molecular pharmaceutics.
2021 06; 18(6):2416-2427. doi:
10.1021/acs.molpharmaceut.1c00257. [PMID: 34019427] - Yuan-Fu Ding, Cheryl H T Kwong, Shengke Li, Ya-Ting Pan, Jianwen Wei, Lian-Hui Wang, Greta S P Mok, Ruibing Wang. Supramolecular nanomedicine derived from cucurbit[7]uril-conjugated nano-graphene oxide for multi-modality cancer therapy.
Biomaterials science.
2021 May; 9(10):3804-3813. doi:
10.1039/d1bm00426c. [PMID: 33881050] - Amrutha Prabodh, Stephan Sinn, Laura Grimm, Zsombor Miskolczy, Mónika Megyesi, László Biczók, Stefan Bräse, Frank Biedermann. Teaching indicators to unravel the kinetic features of host-guest inclusion complexes.
Chemical communications (Cambridge, England).
2020 Oct; 56(82):12327-12330. doi:
10.1039/d0cc03715j. [PMID: 32945328] - Na'il Saleh, Muna S Bufaroosha, Ziad Moussa, Rukayat Bojesomo, Hebah Al-Amodi, Asia Al-Ahdal. Encapsulation of Cinnamic Acid by Cucurbit[7]uril for Enhancing Photoisomerization.
Molecules (Basel, Switzerland).
2020 Aug; 25(16):. doi:
10.3390/molecules25163702. [PMID: 32823809] - Se-Ho Park, Jae-Yeul Lee, Hyun-Nam Cho, Kyoung-Ran Kim, Seun-Ah Yang, Hee-Joon Kim, Kwang-Hwan Jhee. Simple and Novel Assay of the Host-Guest Complexation of Homocysteine with Cucurbit[7]uril.
Journal of microbiology and biotechnology.
2019 Jan; 29(1):114-126. doi:
10.4014/jmb.1811.11029. [PMID: 30518019] - Xiangjun Zhang, Xiaoqiu Xu, Shengke Li, Lanlan Li, Jianxiang Zhang, Ruibing Wang. A Synthetic Receptor as a Specific Antidote for Paraquat Poisoning.
Theranostics.
2019; 9(3):633-645. doi:
10.7150/thno.31485. [PMID: 30809298] - Xiangjun Zhang, Xiaoqiu Xu, Shengke Li, Lian-Hui Wang, Jianxiang Zhang, Ruibing Wang. A systematic evaluation of the biocompatibility of cucurbit[7]uril in mice.
Scientific reports.
2018 06; 8(1):8819. doi:
10.1038/s41598-018-27206-6. [PMID: 29891955] - Silvia Sonzini, Jade A McCune, Peter Ravn, Oren A Scherman, Christopher F van der Walle. A simple supramolecular assay for drug detection in urine.
Chemical communications (Cambridge, England).
2017 Aug; 53(63):8842-8845. doi:
10.1039/c7cc04081d. [PMID: 28731075] - Fangfei Li, Anil K Gorle, Marie Ranson, Kara L Vine, Robert Kinobe, Marshall Feterl, Jeffrey M Warner, F Richard Keene, J Grant Collins, Anthony I Day. Probing the pharmacokinetics of cucurbit[7, 8 and 10]uril: and a dinuclear ruthenium antimicrobial complex encapsulated in cucurbit[10]uril.
Organic & biomolecular chemistry.
2017 May; 15(19):4172-4179. doi:
10.1039/c7ob00724h. [PMID: 28443914] - Monika Gupta, K Parvathi, Soumyaditya Mula, Dilip K Maity, Alok K Ray. Enhanced fluorescence of aqueous BODIPY by interaction with cavitand cucurbit[7]uril.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
2017 Apr; 16(4):499-506. doi:
10.1039/c6pp00325g. [PMID: 27935618] - Nilotpal Barooah, Amit Kunwar, Raman Khurana, Achikanath C Bhasikuttan, Jyotirmayee Mohanty. Stimuli-Responsive Cucurbit[7]uril-Mediated BSA Nanoassembly for Uptake and Release of Doxorubicin.
Chemistry, an Asian journal.
2017 Jan; 12(1):122-129. doi:
10.1002/asia.201601411. [PMID: 27897384] - Karina Scholtbach, Ítalo Venegas, Cornelia Bohne, Denis Fuentealba. Time-resolved fluorescence anisotropy as a tool to study guest-cucurbit[n]uril-protein ternary supramolecular interactions.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
2015 Apr; 14(4):842-52. doi:
10.1039/c4pp00479e. [PMID: 25683690] - Xu Jing, Bing Bai, Chenxuan Zhang, Wenying Wu, Liming Du, Hailong Liu, Guojun Yao. Rapid and sensitive determination of clenbuterol in porcine muscle and swine urine using a fluorescent probe.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2015 Feb; 136 Pt B(?):714-8. doi:
10.1016/j.saa.2014.09.086. [PMID: 25315870] - Changfeng Li, Jianxia Feng, Huangxian Ju. Supramolecular interaction of labetalol with cucurbit[7]uril for its sensitive fluorescence detection.
The Analyst.
2015 Jan; 140(1):230-5. doi:
10.1039/c4an01601g. [PMID: 25412989] - Yan Li, Chang-Feng Li, Li-Ming Du, Jian-Xia Feng, Hai-Long Liu, Yun-Long Fu. A competitive strategy based on cucurbit[7]uril supramolecular interaction for simple and sensitive detection of dibucaine.
Talanta.
2015 Jan; 132(?):653-7. doi:
10.1016/j.talanta.2014.09.005. [PMID: 25476359] - Setu Kasera, Lars O Herrmann, Jesús del Barrio, Jeremy J Baumberg, Oren A Scherman. Quantitative multiplexing with nano-self-assemblies in SERS.
Scientific reports.
2014 Oct; 4(?):6785. doi:
10.1038/srep06785. [PMID: 25354650] - Jing Zhao, Suisui Hu, Weidong Zhong, Jiguang Wu, Zhongming Shen, Zhong Chen, Genxi Li. Highly sensitive electrochemical aptasensor based on a ligase-assisted exonuclease III-catalyzed degradation reaction.
ACS applied materials & interfaces.
2014 May; 6(10):7070-5. doi:
10.1021/am502053d. [PMID: 24786305] - Ya Cao, Dehu Chen, Weiwei Chen, Jiacui Yu, Zhong Chen, Genxi Li. Aptamer-based homogeneous protein detection using cucurbit[7]uril functionalized electrode.
Analytica chimica acta.
2014 Feb; 812(?):45-9. doi:
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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2012 Dec; 98(?):275-81. doi:
10.1016/j.saa.2012.08.016. [PMID: 22959366] - Jane A Plumb, Balaji Venugopal, Rabbab Oun, Natividad Gomez-Roman, Yoshiyuki Kawazoe, Natarajan Sathiyamoorthy Venkataramanan, Nial J Wheate. Cucurbit[7]uril encapsulated cisplatin overcomes cisplatin resistance via a pharmacokinetic effect.
Metallomics : integrated biometal science.
2012 Jun; 4(6):561-7. doi:
10.1039/c2mt20054f. [PMID: 22610518] - Monika Gupta, Dilip K Maity, Manoj K Singh, Sandip K Nayak, Alok K Ray. Supramolecular interaction of coumarin 1 dye with cucurbit[7]uril as host: combined experimental and theoretical study.
The journal of physical chemistry. B.
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The Analyst.
2011 Oct; 136(20):4168-73. doi:
10.1039/c1an15078b. [PMID: 21858296] - Chang-Feng Li, Li-Ming Du, Hui-Ming Zhang. Study on the inclusion interaction of cucurbit[n]urils with sanguinarine by spectrofluorimetry and its analytical application.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2010 Feb; 75(2):912-7. doi:
10.1016/j.saa.2009.12.036. [PMID: 20044304] - Mhejabeen Shaikh, Jyotirmayee Mohanty, Achikanath C Bhasikuttan, Vanya D Uzunova, Werner M Nau, Haridas Pal. Salt-induced guest relocation from a macrocyclic cavity into a biomolecular pocket: interplay between cucurbit[7]uril and albumin.
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