| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-09 00:19:29 UTC |
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| Updated at | 2022-09-09 00:19:30 UTC |
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| NP-MRD ID | NP0276286 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 7-methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one |
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| Description | 7-Methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. 7-methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one is found in Semecarpus anacardium. Based on a literature review very few articles have been published on 7-methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one. |
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| Structure | COC1=CC=C(C=C1)C1CC(=O)C2=CC=C(OC)C(=C2O1)C1=CC(=CC=C1OC)C1CC(=O)C2=CC=C(OC)C=C2O1 InChI=1S/C34H30O8/c1-37-21-8-5-19(6-9-21)30-18-27(36)24-12-14-29(40-4)33(34(24)42-30)25-15-20(7-13-28(25)39-3)31-17-26(35)23-11-10-22(38-2)16-32(23)41-31/h5-16,30-31H,17-18H2,1-4H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C34H30O8 |
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| Average Mass | 566.6060 Da |
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| Monoisotopic Mass | 566.19407 Da |
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| IUPAC Name | 7-methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
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| Traditional Name | 7-methoxy-8-[2-methoxy-5-(7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC=C(C=C1)C1CC(=O)C2=CC=C(OC)C(=C2O1)C1=CC(=CC=C1OC)C1CC(=O)C2=CC=C(OC)C=C2O1 |
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| InChI Identifier | InChI=1S/C34H30O8/c1-37-21-8-5-19(6-9-21)30-18-27(36)24-12-14-29(40-4)33(34(24)42-30)25-15-20(7-13-28(25)39-3)31-17-26(35)23-11-10-22(38-2)16-32(23)41-31/h5-16,30-31H,17-18H2,1-4H3 |
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| InChI Key | ZDMCADYNFIMOMS-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, 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 biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. |
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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 | Biflavonoids and polyflavonoids |
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| Direct Parent | Biflavonoids and polyflavonoids |
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| Alternative Parents | |
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| Substituents | - Bi- and polyflavonoid skeleton
- 4p-methoxyflavonoid-skeleton
- 7-methoxyflavonoid-skeleton
- Flavanone
- Flavan
- Chromone
- Chromane
- Benzopyran
- 1-benzopyran
- Phenoxy compound
- Anisole
- Methoxybenzene
- Aryl alkyl ketone
- Phenol ether
- Aryl ketone
- Alkyl aryl ether
- Monocyclic benzene moiety
- Benzenoid
- Ketone
- Organoheterocyclic compound
- Ether
- Oxacycle
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- 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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