Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 03:39:39 UTC |
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Updated at | 2022-09-03 03:39:39 UTC |
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NP-MRD ID | NP0167969 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl (4z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate |
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Description | Orirubenone F belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain. methyl (4z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate is found in Agaricus urinascens. It was first documented in 2003 (PMID: 36056506). Based on a literature review a significant number of articles have been published on Orirubenone F (PMID: 36057419) (PMID: 36057336) (PMID: 36057013) (PMID: 36057012) (PMID: 36056827) (PMID: 36056757). |
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Structure | COC(=O)CC\C(C)=C/C(=O)C1=CC(O)=CC=C1O InChI=1S/C14H16O5/c1-9(3-6-14(18)19-2)7-13(17)11-8-10(15)4-5-12(11)16/h4-5,7-8,15-16H,3,6H2,1-2H3/b9-7- |
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Synonyms | Not Available |
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Chemical Formula | C14H16O5 |
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Average Mass | 264.2770 Da |
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Monoisotopic Mass | 264.09977 Da |
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IUPAC Name | methyl (4Z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate |
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Traditional Name | methyl (4Z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)CC\C(C)=C/C(=O)C1=CC(O)=CC=C1O |
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InChI Identifier | InChI=1S/C14H16O5/c1-9(3-6-14(18)19-2)7-13(17)11-8-10(15)4-5-12(11)16/h4-5,7-8,15-16H,3,6H2,1-2H3/b9-7- |
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InChI Key | PSSTVIMXRALZMS-CLFYSBASSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Quinone and hydroquinone lipids |
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Direct Parent | Prenylated hydroquinones |
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Alternative Parents | |
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Substituents | - Prenylbenzoquinol
- Benzoyl
- Hydroquinone
- Aryl ketone
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acid ester
- Phenol
- Fatty acid methyl ester
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Acryloyl-group
- Enone
- Vinylogous acid
- Alpha,beta-unsaturated ketone
- Methyl ester
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Al-Moraissi EA, Christidis N, Ho YS: Publication performance and trends in temporomandibular disorders research: A bibliometric analysis. J Stomatol Oral Maxillofac Surg. 2023 Feb;124(1):101273. doi: 10.1016/j.jormas.2022.08.016. Epub 2022 Aug 31. [PubMed:36057419 ]
- Sherlin V A, Baby JN, Sriram B, Hsu YF, Wang SF, George M: Construction of ANbO(3) (A= Na, K)/f-carbon nanofiber composite: Rapid and real-time electrochemical detection of hydroxychloroquine in environmental samples. Environ Res. 2022 Dec;215(Pt 1):114232. doi: 10.1016/j.envres.2022.114232. Epub 2022 Aug 31. [PubMed:36057336 ]
- Takaya K, Asou T, Kishi K: Cathepsin F is a potential marker for senescent human skin fibroblasts and keratinocytes associated with skin aging. Geroscience. 2023 Feb;45(1):427-437. doi: 10.1007/s11357-022-00648-7. Epub 2022 Sep 3. [PubMed:36057013 ]
- Watanabe M, Kato H, Katayama D, Soeda F, Matsunaga K, Watabe T, Tatsumi M, Shimosegawa E, Tomiyama N: Semiquantitative analysis using whole-body dynamic F-18 fluoro-2-deoxy-glucose-positron emission tomography to differentiate between benign and malignant lesions. Ann Nucl Med. 2022 Nov;36(11):951-963. doi: 10.1007/s12149-022-01784-y. Epub 2022 Sep 3. [PubMed:36057012 ]
- Mota HRO, Oliveira JTA, Martins TF, Vasconcelos IM, Costa HPS, Neres DP, Silva FDA, Souza PFN: Chitinase from the Latex of Ficus benjamina L. Displays Antifungal Activity by Inducing ROS Generation and Structural Damage to the Fungal Cell Wall and Plasma Membrane. Protein Pept Lett. 2022;29(10):869-881. doi: 10.2174/0929866529666220903091107. [PubMed:36056827 ]
- Kharofa J, Apewokin S, Alenghat T, Ollberding NJ: Metagenomic analysis of the fecal microbiome in colorectal cancer patients compared to healthy controls as a function of age. Cancer Med. 2023 Feb;12(3):2945-2957. doi: 10.1002/cam4.5197. Epub 2022 Sep 3. [PubMed:36056757 ]
- Lan G, Cai Y, Li A, Liu Z, Ma S, Guo T: Association of Presynaptic Loss with Alzheimer's Disease and Cognitive Decline. Ann Neurol. 2022 Dec;92(6):1001-1015. doi: 10.1002/ana.26492. Epub 2022 Sep 15. [PubMed:36056679 ]
- Rabani I, Younus A, Patil S, Seo YS: Fabrication of Fe(3)O(4)-incorporated MnO(2) nanoflowers as electrodes for enhanced asymmetric supercapacitor performance. Dalton Trans. 2022 Sep 26;51(37):14190-14200. doi: 10.1039/d2dt01942f. [PubMed:36056677 ]
- Di Martino C, Delfine S, Pizzuto R, Loreto F, Fuggi A: Free amino acids and glycine betaine in leaf osmoregulation of spinach responding to increasing salt stress. New Phytol. 2003 Jun;158(3):455-463. doi: 10.1046/j.1469-8137.2003.00770.x. [PubMed:36056506 ]
- Du Y, Liu Y, Zhou Y, Zhang P: Knockdown of CDC20 promotes adipogenesis of bone marrow-derived stem cells by modulating beta-catenin. Stem Cell Res Ther. 2022 Sep 2;13(1):443. doi: 10.1186/s13287-022-03062-0. [PubMed:36056439 ]
- LOTUS database [Link]
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