Record Information |
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Version | 1.0 |
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Created at | 2022-06-29 18:33:25 UTC |
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Updated at | 2022-06-29 18:33:26 UTC |
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NP-MRD ID | NP0138727 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Rhaponticin 6''-O-gallate |
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Description | Rhaponticin 6''-O-gallate belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Rhaponticin 6''-O-gallate is found in Rheum rhaponticum. It was first documented in 1993 (PMID: 35862567). Based on a literature review a significant number of articles have been published on Rhaponticin 6''-O-gallate (PMID: 35863886) (PMID: 35863885) (PMID: 35863884) (PMID: 35863883) (PMID: 10714491) (PMID: 35863882). |
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Structure | COC1=C(O)C=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1 InChI=1S/C28H28O13/c1-38-21-5-4-13(8-18(21)30)2-3-14-6-16(29)11-17(7-14)40-28-26(36)25(35)24(34)22(41-28)12-39-27(37)15-9-19(31)23(33)20(32)10-15/h2-11,22,24-26,28-36H,12H2,1H3/b3-2+/t22-,24-,25+,26-,28-/m1/s1 |
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Synonyms | Value | Source |
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Rhaponticin 6''-O-gallic acid | Generator |
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Chemical Formula | C28H28O13 |
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Average Mass | 572.5190 Da |
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Monoisotopic Mass | 572.15299 Da |
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IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
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Traditional Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
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CAS Registry Number | 94356-23-7 |
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SMILES | COC1=C(O)C=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1 |
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InChI Identifier | InChI=1S/C28H28O13/c1-38-21-5-4-13(8-18(21)30)2-3-14-6-16(29)11-17(7-14)40-28-26(36)25(35)24(34)22(41-28)12-39-27(37)15-9-19(31)23(33)20(32)10-15/h2-11,22,24-26,28-36H,12H2,1H3/b3-2+/t22-,24-,25+,26-,28-/m1/s1 |
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InChI Key | HEOKFDGOFROELJ-XJVIDBJFSA-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 stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Stilbenes |
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Sub Class | Stilbene glycosides |
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Direct Parent | Stilbene glycosides |
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Alternative Parents | |
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Substituents | - Stilbene glycoside
- Phenolic glycoside
- Galloyl ester
- Gallic acid or derivatives
- P-hydroxybenzoic acid alkyl ester
- M-hydroxybenzoic acid ester
- P-hydroxybenzoic acid ester
- Glycosyl compound
- O-glycosyl compound
- Benzoate ester
- Methoxyphenol
- Benzenetriol
- Benzoic acid or derivatives
- Pyrogallol derivative
- Anisole
- Phenoxy compound
- Benzoyl
- Phenol ether
- Methoxybenzene
- Styrene
- Phenol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Oxane
- Monocyclic benzene moiety
- Monosaccharide
- Secondary alcohol
- Carboxylic acid ester
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Ether
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- 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 | - Morales Corado JA, Lee CU, Enns GM: Carnitine-Acylcarnitine Translocase Deficiency. 1993. [PubMed:35862567 ]
- Kaorop W, Maneechote C, Kumfu S, Chattipakorn SC, Chattipakorn N: Mitochondrial-derived peptides as a novel intervention for obesity and cardiac diseases: bench evidence for potential bedside application. J Clin Pathol. 2022 Jul 21. pii: jcp-2022-208321. doi: 10.1136/jcp-2022-208321. [PubMed:35863886 ]
- Zheng T, Zheng S, Wang K, Quan H, Bai Q, Li S, Qi R, Zhao Y, Cui X, Gao X: Automatic CD30 scoring method for whole slide images of primary cutaneous CD30(+) lymphoproliferative diseases. J Clin Pathol. 2022 Jul 21. pii: jcp-2022-208344. doi: 10.1136/jcp-2022-208344. [PubMed:35863885 ]
- Humphreys H, Burke L, O'Connell K, Keogan M: Answering Ireland's call: pathology during the COVID-19 pandemic. J Clin Pathol. 2022 Nov;75(11):721-723. doi: 10.1136/jclinpath-2022-208323. Epub 2022 Jul 21. [PubMed:35863884 ]
- Albin C, Berkowitz AL: Engaging teaching strategies in neurology: the flipped classroom and simulation training. Pract Neurol. 2022 Jul 21. pii: pn-2022-003371. doi: 10.1136/pn-2022-003371. [PubMed:35863883 ]
- Matsuda H, Kageura T, Morikawa T, Toguchida I, Harima S, Yoshikawa M: Effects of stilbene constituents from rhubarb on nitric oxide production in lipopolysaccharide-activated macrophages. Bioorg Med Chem Lett. 2000 Feb 21;10(4):323-7. doi: 10.1016/s0960-894x(99)00702-7. [PubMed:10714491 ]
- Walters J: Weakness in the intensive care unit. Pract Neurol. 2022 Jul 21:pn-2022-003422. doi: 10.1136/pn-2022-003422. [PubMed:35863882 ]
- Reardon K, McKelvie P: Eosinophilic myositis: could it be an adult-onset dystrophy? Pract Neurol. 2022 Jul 21:pn-2022-003448. doi: 10.1136/pn-2022-003448. [PubMed:35863881 ]
- El Mahdaoui S, Isenberg AL, Hansen K, Langkilde AR, Hamann S, Romme Christensen J: Acute posterior multifocal placoid pigment epitheliopathy resembling multiple sclerosis. Pract Neurol. 2022 Jul 21:practneurol-2022-003463. doi: 10.1136/pn-2022-003463. [PubMed:35863880 ]
- Cauchi M, Willis M, Andrews A, Backx M, Brownlee W, Ford HL, Gran B, Jolles S, Price S, Rashid W, Schmierer K, Tallantyre EC: Multiple sclerosis and the risk of infection: Association of British Neurologists consensus guideline. Pract Neurol. 2022 Jul 21:practneurol-2022-003370. doi: 10.1136/practneurol-2022-003370. [PubMed:35863879 ]
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