Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:08:02 UTC |
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Updated at | 2024-04-19 09:56:47 UTC |
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NP-MRD ID | NP0331965 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane A |
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Description | It was first documented in 2023 (PMID: 37971599). Based on a literature review a significant number of articles have been published on (1R)-8-hydroxy-1-methyl-4-oxo-2,3-dihydro-1H-naphthalene-6-carboxylic acid (PMID: 37958525) (PMID: 37952561) (PMID: 37927593) (PMID: 37916736). |
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Structure | C[C@@H]1CCC(=O)C2=CC(=CC(O)=C12)C(O)=O InChI=1S/C12H12O4/c1-6-2-3-9(13)8-4-7(12(15)16)5-10(14)11(6)8/h4-6,14H,2-3H2,1H3,(H,15,16)/t6-/m1/s1 |
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Synonyms | Value | Source |
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(1R)-8-Hydroxy-1-methyl-4-oxo-2,3-dihydro-1H-naphthalene-6-carboxylate | Generator |
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Chemical Formula | C12H12O4 |
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Average Mass | 220.2240 Da |
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Monoisotopic Mass | 220.07356 Da |
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IUPAC Name | (5R)-4-hydroxy-5-methyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R)-4-hydroxy-5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1CCC(=O)C2=CC(=CC(O)=C12)C(O)=O |
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InChI Identifier | InChI=1S/C12H12O4/c1-6-2-3-9(13)8-4-7(12(15)16)5-10(14)11(6)8/h4-6,14H,2-3H2,1H3,(H,15,16)/t6-/m1/s1 |
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InChI Key | DYJUFZBKFKDQDT-ZCFIWIBFSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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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 | - Zhang P, Wang T, Cao L, Jiao Z, Ku L, Dou D, Liu Z, Fu J, Xie X, Zhu Y, Chong L, Wei L: Molecular mechanism analysis of ZmRL6 positively regulating drought stress tolerance in maize. Stress Biol. 2023 Nov 16;3(1):47. doi: 10.1007/s44154-023-00125-x. [PubMed:37971599 ]
- Kanellopoulos P, Nock BA, Rouchota M, Loudos G, Krenning EP, Maina T: Side-Chain Modified [(99m)Tc]Tc-DT1 Mimics: A Comparative Study in NTS(1)R-Positive Models. Int J Mol Sci. 2023 Oct 24;24(21):15541. doi: 10.3390/ijms242115541. [PubMed:37958525 ]
- Mutoh T, Kikuchi H, Jitsuishi T, Kitajo K, Yamaguchi A: Spatiotemporal expression patterns of ZBP1 in the brain of mouse experimental stroke model. J Chem Neuroanat. 2023 Dec;134:102362. doi: 10.1016/j.jchemneu.2023.102362. Epub 2023 Nov 10. [PubMed:37952561 ]
- Xie Y, Liang S, Zhang Y, Wu T, Shen Y, Yao S, Li J: Discovery of indole analogues from Periplaneta americana extract and their activities on cell proliferation and recovery of ulcerative colitis in mice. Front Pharmacol. 2023 Oct 20;14:1282545. doi: 10.3389/fphar.2023.1282545. eCollection 2023. [PubMed:37927593 ]
- Richoux GM, Yang L, Norris EJ, Linthicum KJ, Bloomquist JR: Structural Exploration of Novel Pyrethroid Esters and Amides for Repellent and Insecticidal Activity against Mosquitoes. J Agric Food Chem. 2023 Nov 29;71(47):18285-18291. doi: 10.1021/acs.jafc.3c01839. Epub 2023 Nov 2. [PubMed:37916736 ]
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