Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 00:59:09 UTC |
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Updated at | 2022-04-28 00:59:09 UTC |
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NP-MRD ID | NP0054722 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Purpuritenin B |
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Description | Purpuritenin b belongs to the class of organic compounds known as furanochalcones. Furanochalcones are compounds containing a furan ring fused to either ring of a chalcone moiety. Thus, purpuritenin b is considered to be a flavonoid. Purpuritenin B is found in Tephrosia purpurea . It was first documented in 2022 (PMID: 35477179). Based on a literature review a significant number of articles have been published on Purpuritenin b (PMID: 35477136) (PMID: 35477143) (PMID: 35477129) (PMID: 35477124). |
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Structure | COC1=C2C=COC2=CC=C1C(=O)C(\C)=C\C1=CC=CC=C1 InChI=1S/C19H16O3/c1-13(12-14-6-4-3-5-7-14)18(20)16-8-9-17-15(10-11-22-17)19(16)21-2/h3-12H,1-2H3/b13-12+ |
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Synonyms | Not Available |
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Chemical Formula | C19H16O3 |
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Average Mass | 292.3340 Da |
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Monoisotopic Mass | 292.10994 Da |
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IUPAC Name | (2E)-1-(4-methoxy-1-benzofuran-5-yl)-2-methyl-3-phenylprop-2-en-1-one |
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Traditional Name | purpuritenin B |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C=COC2=CC=C1C(=O)C(\C)=C\C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C19H16O3/c1-13(12-14-6-4-3-5-7-14)18(20)16-8-9-17-15(10-11-22-17)19(16)21-2/h3-12H,1-2H3/b13-12+ |
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InChI Key | NEHCUOFNXQUQDO-OUKQBFOZSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 furanochalcones. Furanochalcones are compounds containing a furan ring fused to either ring of a chalcone moiety. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Linear 1,3-diarylpropanoids |
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Sub Class | Chalcones and dihydrochalcones |
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Direct Parent | Furanochalcones |
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Alternative Parents | |
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Substituents | - Furanochalcone
- Cinnamic acid or derivatives
- Benzofuran
- Anisole
- Phenol ether
- Aryl ketone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Monocyclic benzene moiety
- Benzenoid
- Heteroaromatic compound
- Alpha,beta-unsaturated ketone
- Enone
- Furan
- Acryloyl-group
- Ketone
- Ether
- Organoheterocyclic compound
- Oxacycle
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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 | - Li M, Yu H, Qi F, Ye Y, Hu D, Cao J, Wang D, Mi L, Wang Z, Ding N, Ping L, Shu S, Zhu J: Anti-CD47 immunotherapy in combination with BCL-2 inhibitor to enhance anti-tumor activity in B-cell lymphoma. Hematol Oncol. 2022 Apr 27. doi: 10.1002/hon.3009. [PubMed:35477179 ]
- Mens AJW, van Krimpen MM, Kar SK, Guiscafre FJ, Sijtsma L: Enriching table eggs with n-3 polyunsaturated fatty acids through dietary supplementation with the phototrophically grown green algae Nannochloropsis limnetica: effects of microalgae on nutrient retention, performance, egg characteristics and health parameters. Poult Sci. 2022 Jun;101(6):101869. doi: 10.1016/j.psj.2022.101869. Epub 2022 Mar 24. [PubMed:35477136 ]
- Cuenca-Barrales C, Montero-Vilchez T, Sanchez-Diaz M, Martinez-Lopez A, Rodriguez-Pozo JA, Diaz-Calvillo P, Arias-Santiago S, Molina-Leyva A: Intralesional Treatments in Hidradenitis Suppurativa: A Systematic Review. Dermatology. 2022 Apr 27:1-8. doi: 10.1159/000524121. [PubMed:35477143 ]
- Mondal K, Ganguly S, Maiti SK: Spin-dependent transport in a driven non-collinear antiferromagnetic fractal network. J Phys Condens Matter. 2022 May 23;34(29). doi: 10.1088/1361-648X/ac6b0b. [PubMed:35477129 ]
- Du Y, Li D, Chen J, Li YH, Zhang Z, Hidayat K, Wan Z, Xu JY, Qin LQ: Lactoferrin improves hepatic insulin resistance and pancreatic dysfunction in high-fat diet and streptozotocin-induced diabetic mice. Nutr Res. 2022 Jul;103:47-58. doi: 10.1016/j.nutres.2022.03.011. Epub 2022 Mar 27. [PubMed:35477124 ]
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