Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 00:20:29 UTC |
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Updated at | 2022-04-28 00:20:30 UTC |
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NP-MRD ID | NP0053791 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Mearnsetin 3,7-dirhamnoside |
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Description | 2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Mearnsetin 3,7-dirhamnoside is found in Asplenium antiquum. It was first documented in 2000 (PMID: 35476376). Based on a literature review a significant number of articles have been published on 2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one (PMID: 35477185) (PMID: 35477184) (PMID: 35477183) (PMID: 35477182) (PMID: 35477181) (PMID: 35477180). |
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Structure | COC1=C(O)C=C(C=C1O)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C=C2O1 InChI=1S/C28H32O16/c1-8-17(32)20(35)22(37)27(40-8)42-11-6-12(29)16-15(7-11)43-24(10-4-13(30)25(39-3)14(31)5-10)26(19(16)34)44-28-23(38)21(36)18(33)9(2)41-28/h4-9,17-18,20-23,27-33,35-38H,1-3H3/t8-,9+,17+,18+,20+,21-,22-,23+,27+,28+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H32O16 |
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Average Mass | 624.5480 Da |
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Monoisotopic Mass | 624.16903 Da |
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IUPAC Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one |
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Traditional Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=C(C=C1O)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C=C2O1 |
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InChI Identifier | InChI=1S/C28H32O16/c1-8-17(32)20(35)22(37)27(40-8)42-11-6-12(29)16-15(7-11)43-24(10-4-13(30)25(39-3)14(31)5-10)26(19(16)34)44-28-23(38)21(36)18(33)9(2)41-28/h4-9,17-18,20-23,27-33,35-38H,1-3H3/t8-,9+,17+,18+,20+,21-,22-,23+,27+,28+/m1/s1 |
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InChI Key | RGWKAEPSNVHPMO-XXPMHMBBSA-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 flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid-7-O-glycosides |
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Alternative Parents | |
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Substituents | - Flavonoid-7-o-glycoside
- Flavonoid-3-o-glycoside
- 4p-methoxyflavonoid-skeleton
- Hydroxyflavonoid
- Flavone
- 5-hydroxyflavonoid
- 3'-hydroxyflavonoid
- Phenolic glycoside
- O-glycosyl compound
- Glycosyl compound
- Chromone
- 1-benzopyran
- Methoxyphenol
- Benzopyran
- Phenoxy compound
- Methoxybenzene
- Resorcinol
- Phenol ether
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Phenol
- Alkyl aryl ether
- Benzenoid
- Pyran
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | - Nagendra L, Boro H, Mannar V: Bacterial Infections in Diabetes. 2000. [PubMed:35476376 ]
- Mungmunpuntipantip R, Wiwanitkit V: Antineutrophil cytoplasmic antibody, glomerulonephritis and inactivated SARS-CoV-2 vaccine: comment on the article by Garcia et al. ACR Open Rheumatol. 2022 Apr 27. doi: 10.1002/acr2.11438. [PubMed:35477185 ]
- Zhang J, Bellocco R, Sandborgh-Englund G, Yu J, Sallberg Chen M, Ye W: Poor oral health and esophageal cancer risk: a nationwide cohort study. Cancer Epidemiol Biomarkers Prev. 2022 Apr 27. pii: 694791. doi: 10.1158/1055-9965.EPI-22-0151. [PubMed:35477184 ]
- Silva TCD, Santos WAD, Pinto SAG, Rocha PRD, Hurtado ECP, Bonamin LV: Phenotypic Changes in Mammary Adenocarcinoma (4T1) cells In Vitro after Treatment with Carcinosinum. Homeopathy. 2022 Apr 27. doi: 10.1055/s-0041-1740967. [PubMed:35477183 ]
- Mukherjee S, Bandlamudi C, Hellmann MD, Kemel Y, Drill E, Rizvi H, Tkachuk K, Khurram A, Walsh MF, Zauderer MG, Mandelker D, Topka S, Zehir A, Srinivasan P, Esai Selvan M, Carlo MI, Cadoo KA, Latham A, Hamilton JG, Liu YL, Lipkin SM, Belhadj S, Bond GL, Gumus ZH, Klein RJ, Ladanyi M, Solit DB, Robson ME, Jones DR, Kris MG, Vijai J, Stadler ZK, Amos CI, Taylor BS, Berger MF, Rudin CM, Offit K: Germline Pathogenic Variants Impact Clinicopathology of Advanced Lung Cancer. Cancer Epidemiol Biomarkers Prev. 2022 Apr 27. pii: 694787. doi: 10.1158/1055-9965.EPI-21-1287. [PubMed:35477182 ]
- Trapp NT, Martyna MR, Siddiqi SH, Bajestan SN: The Neuropsychiatric Approach to the Assessment of Patients in Neurology. Semin Neurol. 2022 Apr;42(2):88-106. doi: 10.1055/s-0042-1745741. Epub 2022 Apr 27. [PubMed:35477181 ]
- Jesus-Ribeiro J, Ribeiro IP, Pires LM, Paiva P, Simoes S, Pereira C, Robalo C, Pereira R, Sales F, Rebelo O, Santana I, Freire A, Barbosa Melo J: Cytogenomic Analysis of Long-Term Epilepsy-Associated Tumors Using an Array-Based CGH Strategy. Cytogenet Genome Res. 2022;162(1-2):28-33. doi: 10.1159/000524130. Epub 2022 Apr 27. [PubMed:35477180 ]
- 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 ]
- de Bruin S, Peters AL, Wijnberge M, van Baarle FLF, AbdelRahman AHA, Vermeulen C, Beuger BM, Reisz JA, D'Alessandro A, Vlaar APJ, de Korte D, van Bruggen R: Storage of red blood cells in alkaline PAGGGM improves metabolism but has no effect on posttransfusion recovery. Blood Adv. 2022 Apr 27. pii: 485095. doi: 10.1182/bloodadvances.2022006987. [PubMed:35477178 ]
- Gu W, Qi J, Zhang S, Ding Y, Qiao J, Han Y: Inhibition of HIF prolyl hydroxylase modulates platelet function. Thromb Haemost. 2022 Apr 27. doi: 10.1055/a-1837-7797. [PubMed:35477177 ]
- Weaver KH, Harper LA, De Visscher A, van Cleemput O: The effect of biogas ebullition on ammonia emissions from animal manure-processing lagoons. J Environ Qual. 2022 Apr 27. doi: 10.1002/jeq2.20363. [PubMed:35477174 ]
- Owens L, Gulati R, Etzioni R: Stage Shift as an Endpoint in Cancer Screening Trials: Implications for Evaluating Multicancer Early Detection Tests. Cancer Epidemiol Biomarkers Prev. 2022 Jul 1;31(7):1298-1304. doi: 10.1158/1055-9965.EPI-22-0024. [PubMed:35477176 ]
- Ansari SH, Ansari I, Munir MW, Sattar A, Khawaja S, Zohaib M, Hussain Z, Adil SO, Ansari AH, Ansari UH, Farooq F, Masqati NU: Evaluation of the combination therapy of hydroxyurea and thalidomide in beta-thalassemia. Blood Adv. 2022 Apr 27. pii: 485091. doi: 10.1182/bloodadvances.2022007031. [PubMed:35477175 ]
- Uddin MB, Chow CM, Ling SH, Su SW: A generalized algorithm for the automatic diagnosis of sleep apnea from per-sample encoding of airflow and oximetry. Physiol Meas. 2022 Jun 30;43(6). doi: 10.1088/1361-6579/ac6b11. [PubMed:35477173 ]
- Wei S, Zhang P, Liu H: High pressure nanoarchitectonics and metallization of barium chloride and barium bromide. J Phys Condens Matter. 2022 May 16;34(29). doi: 10.1088/1361-648X/ac6b08. [PubMed:35477172 ]
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