Record Information |
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Version | 2.0 |
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Created at | 2022-04-27 23:40:06 UTC |
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Updated at | 2022-04-27 23:40:06 UTC |
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NP-MRD ID | NP0052710 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 6-Hydroxyluteolin 6,7-disulfate |
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Description | 6-Hydroxyluteolin 6,7-disulfate belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). 6-Hydroxyluteolin 6,7-disulfate is found in Lippia canescens and Lippia nodiflora . Based on a literature review very few articles have been published on 6-hydroxyluteolin 6,7-disulfate. |
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Structure | OC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(OS(O)(=O)=O)=C(OS(O)(=O)=O)C=C2O1 InChI=1S/C15H10O13S2/c16-7-2-1-6(3-8(7)17)10-4-9(18)13-11(26-10)5-12(27-29(20,21)22)15(14(13)19)28-30(23,24)25/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25) |
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Synonyms | Value | Source |
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6-Hydroxyluteolin 6,7-disulfuric acid | Generator | 6-Hydroxyluteolin 6,7-disulphate | Generator | 6-Hydroxyluteolin 6,7-disulphuric acid | Generator |
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Chemical Formula | C15H10O13S2 |
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Average Mass | 462.3500 Da |
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Monoisotopic Mass | 461.95628 Da |
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IUPAC Name | [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(sulfooxy)-4H-chromen-6-yl]oxidanesulfonic acid |
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Traditional Name | [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(sulfooxy)chromen-6-yl]oxidanesulfonic acid |
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CAS Registry Number | Not Available |
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SMILES | OC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(OS(O)(=O)=O)=C(OS(O)(=O)=O)C=C2O1 |
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InChI Identifier | InChI=1S/C15H10O13S2/c16-7-2-1-6(3-8(7)17)10-4-9(18)13-11(26-10)5-12(27-29(20,21)22)15(14(13)19)28-30(23,24)25/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25) |
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InChI Key | QHJGVHZBVOGZLD-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available |
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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 |
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Chemical Shift Submissions |
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| Not Available |
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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 flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). |
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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 | Flavones |
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Direct Parent | Flavones |
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Alternative Parents | |
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Substituents | - 3'-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Chromone
- Arylsulfate
- Benzopyran
- 1-benzopyran
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Monocyclic benzene moiety
- Benzenoid
- Sulfuric acid ester
- Sulfate-ester
- Pyran
- Sulfuric acid monoester
- Vinylogous acid
- Organic sulfuric acid or derivatives
- Heteroaromatic compound
- Organoheterocyclic compound
- Oxacycle
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- 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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