Record Information |
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Version | 1.0 |
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Created at | 2022-05-31 17:56:57 UTC |
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Updated at | 2022-05-31 17:56:57 UTC |
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NP-MRD ID | NP0138376 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3-Furfuryl 2-pyrrolecarboxylate |
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Description | 3-Furfuryl 2-pyrrolecarboxylate belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). 3-Furfuryl 2-pyrrolecarboxylate is found in Pseudostellaria heterophylla. It was first documented in 2022 (PMID: 35633637). Based on a literature review a significant number of articles have been published on 3-Furfuryl 2-pyrrolecarboxylate (PMID: 35633636) (PMID: 35633635) (PMID: 35633634) (PMID: 35633633). |
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Structure | O=C(OCC1=COC=C1)C1=CC=CN1 InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2 |
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Synonyms | Value | Source |
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3-Furfuryl 2-pyrrolecarboxylic acid | Generator |
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Chemical Formula | C10H9NO3 |
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Average Mass | 191.1860 Da |
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Monoisotopic Mass | 191.05824 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 119767-00-9 |
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SMILES | O=C(OCC1=COC=C1)C1=CC=CN1 |
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InChI Identifier | InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2 |
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InChI Key | CSYQMTPUTVJNPT-UHFFFAOYSA-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 pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrroles |
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Sub Class | Pyrrole carboxylic acids and derivatives |
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Direct Parent | Pyrrole carboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Pyrrole-2-carboxylic acid or derivatives
- Substituted pyrrole
- Furan
- Heteroaromatic compound
- Carboxylic acid ester
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Azacycle
- Oxacycle
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | - Obilom RE, Amanyam CT, Ogunbode AM, Mosuro OA, Ndukwu GU, Onuoha FM, Grema BA, Akangoziri MD: Prevalence and Factors Associated with Depression among Resident Doctors in Nigeria: A Multi-Center Study. West Afr J Med. 2022 May 27;39(5):521-528. [PubMed:35633637 ]
- Fischer FB, Deml MJ, Mausezahl D: Legionnaires' disease - a qualitative study on Swiss physicians' approaches to the diagnosis and treatment of community-acquired pneumonia. Swiss Med Wkly. 2022 May 2;152(17-18). pii: Swiss Med Wkly. 2022;152:w30157. doi: 10.4414/smw.2022.w30157. eCollection 2022 Apr 25. [PubMed:35633636 ]
- Schneider C, Reimann S, Schmid J, Bernhard J, Rabaglio M, Campbell KL, Wilhelm M, Eser P: Qualitative analysis of facilitators and barriers to centre- and home-based exercise training in breast cancer patients - a Swiss tertiary centre experience. Swiss Med Wkly. 2022 May 12;(19-20). pii: Swiss Med Wkly. 2022;152:w30155. doi: 10.4414/smw.2022.w30155. eCollection 2022 May 9. [PubMed:35633635 ]
- Adumah CC, Mosanya AO, Salami OF, Apata OK, Ogundele IO, Onuoha EC: Early Experience of Laparoscopic Surgery in a Teaching Hospital in Rural Nigeria. West Afr J Med. 2022 May 27;39(5):516-520. [PubMed:35633634 ]
- Jungblut L, von Garnier C, Puhan M, Tomonaga Y, Kaufmann C, Azzola A, Burgi U, Bremerich J, Brutsche M, Christe A, Ebner L, Heverhagen JT, Eich C, Franzen D, Schmitt-Opitz I, Schneiter D, Spieldenner J, Horwath N, Kohler M, Weder W, Lovis A, Meuli R, Menig M, Beigelmann-Aubry C, Niemann T, Stohr S, Vock P, Senn O, Neuner-Jehle S, Selby K, Laures S, Ott S, Frauenfelder T: The Swiss Approach - feasibility of a national low-dose CT lung cancer screening program. Swiss Med Wkly. 2022 Apr 14;152(15-16). pii: Swiss Med Wkly. 2022;152:w30154. doi: 10.4414/smw.2022.w30154. eCollection 2022 Apr 11. [PubMed:35633633 ]
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