Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:32:25 UTC |
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Updated at | 2021-07-15 16:48:02 UTC |
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NP-MRD ID | NP0004025 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3',5,7-trihydroxy-4',8-dimethoxyisoflavone |
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Provided By | NPAtlas |
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Description | 3',5,7-trihydroxy-4',8-dimethoxyisoflavone is found in Belamcanda chinensis , Streptomyces and Streptomyces roseolus. It was first documented in 1975 (PMID: 1184476). Based on a literature review very few articles have been published on 3',5,7-Trihydroxy-4',8-dimethoxyisoflavone. |
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Structure | [H]OC1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C1=C([H])OC2=C(OC([H])([H])[H])C(O[H])=C([H])C(O[H])=C2C1=O InChI=1S/C17H14O7/c1-22-13-4-3-8(5-10(13)18)9-7-24-17-14(15(9)21)11(19)6-12(20)16(17)23-2/h3-7,18-20H,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C17H14O7 |
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Average Mass | 330.2920 Da |
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Monoisotopic Mass | 330.07395 Da |
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IUPAC Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one |
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Traditional Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2OC)C1=O |
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InChI Identifier | InChI=1S/C17H14O7/c1-22-13-4-3-8(5-10(13)18)9-7-24-17-14(15(9)21)11(19)6-12(20)16(17)23-2/h3-7,18-20H,1-2H3 |
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InChI Key | GWHLXSNSYSNMEV-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, 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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Species Where Detected | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | O-methylated isoflavonoids |
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Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
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Alternative Parents | |
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Substituents | - 3'-hydroxy,4'-methoxyisoflavonoid
- 4p-o-methylisoflavone
- Isoflavone
- Hydroxyisoflavonoid
- Chromone
- Methoxyphenol
- 1-benzopyran
- Benzopyran
- Phenoxy compound
- Phenol ether
- Anisole
- Methoxybenzene
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Pyranone
- Benzenoid
- Pyran
- Monocyclic benzene moiety
- Heteroaromatic compound
- Vinylogous acid
- Ether
- Organoheterocyclic compound
- Oxacycle
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen 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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