3,5,5-Trimethyl-2-cyclohexen-1-one (BioDeep_00000002408)
human metabolite Endogenous
代谢物信息卡片
化学式: C9H14O (138.1045)
中文名称: 异佛尔酮, 二槐酮
谱图信息:
最多检出来源 Homo sapiens(plant) 10.94%
分子结构信息
SMILES: CC1=CC(=O)CC(C)(C)C1
InChI: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
描述信息
3,5,5-Trimethyl-2-cyclohexen-1-one is found in fruits. 3,5,5-Trimethyl-2-cyclohexen-1-one is a flavouring ingredient. 3,5,5-Trimethyl-2-cyclohexen-1-one is present in cranberries (Vaccinium microcarpa) and saffron (Crocus sativus
3,5,5-Trimethyl-2-cyclohexen-1-one is a flavouring ingredient. It is present in cranberries (Vaccinium microcarpa) and saffron (Crocus sativus), as well as in other herbs and spices.
CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2336
CONFIDENCE standard compound; INTERNAL_ID 2507
同义名列表
33 个代谢物同义名
1,1, 3-Trimethyl-3-cyclohexene-5-one; 3,5, 5-Trimethyl-2-cyclohexene-1-one; 3,5,5-Trimethyl-2-cyclohexene-1-one; 1,1,3-Trimethyl-3-cyclohexene-5-one; 3,3,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-Trimethyl-2-cyclohexen-1-one; 1,5,5-Trimethyl-1-cyclohexen-3-one; 3,5,5-trimethylcyclohex-2-en-1-one; 3,5,5-Trimethylcyclohexen-2-one-1; 3,5,5-Trimethyl-2-cyclohexen-1-ON; 3,5,5-Trimetil-2-cicloesen-1-one; 3,5,5-Trimethyl-2-cyclohexenone; 3,5,5-Trimethylcyclohex-2-enone; 3,5,5-Trimethylcyclohexen one; 3,5,5-Trimethylcyclohexenone; alpha -Isophorone; alpha-Isophorone; Isophorone, reag; alpha -Isophoron; Isoacetophorone; Nchem.180-comp3; Isooctopherone; Diisophorone; a-Isophorone; ISOPHORONE; FEMA 3553; Isophoron; Isoforone; Izoforon; Isoforon; Isophorone; Isophorone; Diisophorone
数据库引用编号
68 个数据库交叉引用编号
- ChEBI: CHEBI:34800
- KEGG: C14743
- PubChem: 6544
- HMDB: HMDB0031195
- Metlin: METLIN70300
- ChEMBL: CHEMBL1882894
- Wikipedia: Isophorone
- KNApSAcK: C00030540
- foodb: FDB003216
- chemspider: 6296
- CAS: 78-59-1
- MoNA: NA002583
- MoNA: NA003346
- MoNA: NA000056
- MoNA: NA003718
- MoNA: NA000049
- MoNA: NA002581
- MoNA: AU250706
- MoNA: NA000053
- MoNA: NA002584
- MoNA: NA000059
- MoNA: NA000038
- MoNA: NA003714
- MoNA: NA002585
- MoNA: NA000061
- MoNA: NA000042
- MoNA: NA002970
- MoNA: NA000065
- MoNA: NA000052
- MoNA: AU250701
- MoNA: NA000047
- MoNA: NA000046
- MoNA: NA000036
- MoNA: NA000062
- MoNA: NA000054
- MoNA: NA000040
- MoNA: NA000057
- MoNA: NA000050
- MoNA: NA000043
- MoNA: NA000041
- MoNA: NA000045
- MoNA: NA000044
- MoNA: NA000048
- MoNA: NA000039
- MoNA: NA002971
- MoNA: NA003715
- MoNA: NA003347
- MoNA: NA002582
- MoNA: NA000051
- MoNA: NA002973
- MoNA: NA003348
- MoNA: NA000058
- MoNA: NA003344
- MoNA: NA003716
- MoNA: NA000063
- MoNA: NA003345
- MoNA: NA003717
- MoNA: NA002972
- MoNA: NA000037
- MoNA: NA002969
- MoNA: NA000060
- MoNA: NA000064
- MoNA: NA000055
- PMhub: MS000002538
- PubChem: 17395741
- NIKKAJI: J1.954B
- KNApSAcK: 34800
- CAS: 6244-16-2
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)
5 个相关的物种来源信息
- 1699378 - Amauris echeria: 10.1515/ZNC-1988-1-219
- 205369 - Artemisia judaica:
- 82528 - Crocus sativus: 10.1055/S-2008-1047858
- 9606 - Homo sapiens: -
- 13750 - Vaccinium macrocarpon: 10.3891/ACTA.CHEM.SCAND.21-2076
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
- Yue-Li Zou, Ya-Tong Liu. A novel isophorone-based NIR fluorescent and colormetric probe for Al3+ sensing and its application for living cells and plants imaging.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2024 May; 312(?):124040. doi:
10.1016/j.saa.2024.124040. [PMID: 38428211] - Yanna Zhao, Yuqi Wang, Yingying Zhang, Xiaowei Bai, Wentong Hou, Yuqing Huang. A novel isophorone-based fluorescent probe for recognizing Al3+ and its bioimaging in plants.
Analytical methods : advancing methods and applications.
2024 Apr; 16(14):2120-2126. doi:
10.1039/d4ay00023d. [PMID: 38516903] - Hui Wang, Lei Hu, Jing Yang, Cuifeng Zhang, Zhiyu Wang, Xuebin Shen, Xi Chen, Jing He, Jin Pan, Xiaoxia Gu. Isophorone-based AIEgens fluorescent probe with red emission for targeting lipid droplets and identifying non-alcoholic fatty liver disease.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2024 Feb; 306(?):123588. doi:
10.1016/j.saa.2023.123588. [PMID: 37922852] - Feriala A Abu Safe, Ahmed N Badr, Mohamed G Shehata, Gharieb S El-Sayyad. Antimicrobial and anti-aflatoxigenic activities of nanoemulsions based on Achillea millefolium and Crocus sativus flower extracts as green promising agents for food preservatives.
BMC microbiology.
2023 Oct; 23(1):289. doi:
10.1186/s12866-023-03033-2. [PMID: 37805450] - Bing Rui, Yangrui Feng, Yanan Wang, Jiawu Deng, Mingqiang Wang, Yi Lyu, Lan Luo. A novel isophorone-derived fluorescent probe for detecting sulfite and the application in monitoring the state of hybridoma cells.
Analytica chimica acta.
2022 May; 1205(?):339723. doi:
10.1016/j.aca.2022.339723. [PMID: 35414401] - B O'Shea, S Wadsworth, J Pino Marambio, M A Birkett, J A Pickett, A J Mordue Luntz. Disruption of host-seeking behaviour by the salmon louse, Lepeophtheirus salmonis, using botanically derived repellents.
Journal of fish diseases.
2017 Apr; 40(4):495-505. doi:
10.1111/jfd.12526. [PMID: 27496636] - Jennifer Munkert, Peter Bauer, Edyta Burda, Frieder Müller-Uri, Wolfgang Kreis. Progesterone 5β-reductase of Erysimum crepidifolium: cDNA cloning, expression in Escherichia coli, and reduction of enones with the recombinant protein.
Phytochemistry.
2011 Oct; 72(14-15):1710-7. doi:
10.1016/j.phytochem.2011.06.007. [PMID: 21767854] - Lygia T Budnik, Dennis Nowak, Rolf Merget, Catherine Lemiere, Xaver Baur. Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies.
Journal of occupational medicine and toxicology (London, England).
2011 Mar; 6(1):9. doi:
10.1186/1745-6673-6-9. [PMID: 21447151] - Ingrid Nobels, Pieter Spanoghe, Geert Haesaert, Johan Robbens, Ronny Blust. Toxicity ranking and toxic mode of action evaluation of commonly used agricultural adjuvants on the basis of bacterial gene expression profiles.
PloS one.
2011; 6(11):e24139. doi:
10.1371/journal.pone.0024139. [PMID: 22125591] - Tatsuaki Ishida, Hiroshi Enomoto, Ritsuo Nishida. New attractants for males of the solanaceous fruit fly Bactrocera latifrons.
Journal of chemical ecology.
2008 Dec; 34(12):1532-5. doi:
10.1007/s10886-008-9562-8. [PMID: 19018595] - Matthias Lechtenberg, Dirk Schepmann, Michael Niehues, Nils Hellenbrand, Bernhard Wünsch, Andreas Hensel. Quality and functionality of saffron: quality control, species assortment and affinity of extract and isolated saffron compounds to NMDA and sigma1 (sigma-1) receptors.
Planta medica.
2008 Jun; 74(7):764-72. doi:
10.1055/s-2008-1074535. [PMID: 18496783] - Eleftherios Alissandrakis, Petros A Tarantilis, Paschalis C Harizanis, Moschos Polissiou. Comparison of the volatile composition in thyme honeys from several origins in Greece.
Journal of agricultural and food chemistry.
2007 Oct; 55(20):8152-7. doi:
10.1021/jf071442y. [PMID: 17824662] - L Del Toro-Sánchez, S Sánchez, M A Ortiz, S Villanueva, E Lugo-Cervantes. Generation of aroma compounds from Ditaxis heterantha by Saccharomyces cerevisiae.
Applied microbiology and biotechnology.
2006 Aug; 72(1):155-162. doi:
10.1007/s00253-005-0244-y. [PMID: 16547703] - Masahiro Inomata, Nobuhiro Hirai, Naohito Takeda, Hajime Ohigashi. Mechanism of the formation of a dehydrated ion by an unusual loss of oxygen at the 4'-carbonyl group of abscisic acid methyl ester in electron ionization mass spectrometry.
Journal of mass spectrometry : JMS.
2005 Aug; 40(8):1035-43. doi:
10.1002/jms.878. [PMID: 15971290] - Mourad Daoubi, Athina Deligeorgopoulou, Antonio J Macías-Sánchez, Rosario Hernández-Galán, Peter B Hitchcock, James R Hanson, Isidro G Collado. Antifungal activity and biotransformation of diisophorone by Botrytis cinerea.
Journal of agricultural and food chemistry.
2005 Jul; 53(15):6035-9. doi:
10.1021/jf050600n. [PMID: 16028992] - K Saito, H Kaneko, N Isobe, I Nakatsuka, A Yoshitake, H Yamada. Differences in alpha 2u-globulins increased in male rat kidneys following treatment with several alpha 2u-globulin accumulating agents: cystein protease(s) play(s) an important role in production of kidney-type-alpha 2u-globulin.
Toxicology.
1992 Nov; 76(2):177-86. doi:
10.1016/0300-483x(92)90163-9. [PMID: 1281346] - D R Dietrich, J A Swenberg. NCI-Black-Reiter (NBR) male rats fail to develop renal disease following exposure to agents that induce alpha-2u-globulin (alpha 2u) nephropathy.
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1991 May; 16(4):749-62. doi:
10.1016/0272-0590(91)90161-v. [PMID: 1715830] - J R Bucher, J Huff, W M Kluwe. Toxicology and carcinogenesis studies of isophorone in F344 rats and B6C3F1 mice.
Toxicology.
1986 May; 39(2):207-19. doi:
10.1016/0300-483x(86)90137-x. [PMID: 3705084] - B Samimi. Exposure to isophorone and other organic solvents in a screen printing plant.
American Industrial Hygiene Association journal.
1982 Jan; 43(1):43-8. doi:
10.1080/15298668291409343. [PMID: 7055084] - H Dutertre Catella, N Phu Lich, D Quoc Quan, R Truhaut. [Metabolic transformations of the trimethyl - 3,5,5, cyclohexene-2, one-1 (isophorone) (author's transl)].
Toxicological European research. Recherche europeenne en toxicologie.
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