Record Information |
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Version | 1.0 |
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Created at | 2022-09-10 02:00:22 UTC |
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Updated at | 2022-09-10 02:00:22 UTC |
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NP-MRD ID | NP0293796 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one |
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Description | 8-C-methylvellokaempferol 3,5-dimethyl ether belongs to the class of organic compounds known as 6-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 6-position. Thus, 8-c-methylvellokaempferol 3,5-dimethyl ether is considered to be a flavonoid lipid molecule. 8-C-methylvellokaempferol 3,5-dimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | COC1=C2C(=O)C(OC)=C(OC2=C(C)C2=C1CC(O2)C(C)=C)C1=CC=C(O)C=C1 InChI=1S/C23H22O6/c1-11(2)16-10-15-19(28-16)12(3)20-17(22(15)26-4)18(25)23(27-5)21(29-20)13-6-8-14(24)9-7-13/h6-9,16,24H,1,10H2,2-5H3 |
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Synonyms | Not Available |
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Chemical Formula | C23H22O6 |
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Average Mass | 394.4230 Da |
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Monoisotopic Mass | 394.14164 Da |
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IUPAC Name | 7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one |
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Traditional Name | 7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2H,3H-furo[3,2-g]chromen-5-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(=O)C(OC)=C(OC2=C(C)C2=C1CC(O2)C(C)=C)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C23H22O6/c1-11(2)16-10-15-19(28-16)12(3)20-17(22(15)26-4)18(25)23(27-5)21(29-20)13-6-8-14(24)9-7-13/h6-9,16,24H,1,10H2,2-5H3 |
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InChI Key | NKFTUEUJDUEFQR-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 6-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 6-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 | Flavones |
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Direct Parent | 6-prenylated flavones |
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Alternative Parents | |
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Substituents | - 6-prenylated flavone
- Furanoflavone
- Furanoflavonoid or dihydroflavonoid
- 3-methoxyflavonoid-skeleton
- 5-methoxyflavonoid-skeleton
- 4'-hydroxyflavonoid
- Hydroxyflavonoid
- Monohydroxyflavonoid
- Furanochromone
- 3-methoxychromone
- Chromone
- Benzopyran
- 1-benzopyran
- Coumaran
- Anisole
- Phenol ether
- Pyranone
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Pyran
- Benzenoid
- Monocyclic benzene moiety
- Vinylogous ester
- Heteroaromatic compound
- Oxacycle
- Organoheterocyclic compound
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- 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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