Record Information |
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Version | 2.0 |
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Created at | 2022-09-09 20:08:33 UTC |
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Updated at | 2022-09-09 20:08:33 UTC |
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NP-MRD ID | NP0289782 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-en-1-yl)-2h,3h,10h-furo[3,2-b]acridin-5-one |
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Description | Buxifoliadine E belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-en-1-yl)-2h,3h,10h-furo[3,2-b]acridin-5-one is found in Atalantia buxifolia and Atalantia monophylla. 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-en-1-yl)-2h,3h,10h-furo[3,2-b]acridin-5-one was first documented in 2022 (PMID: 35744993). Based on a literature review very few articles have been published on Buxifoliadine E. |
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Structure | CC(C)=CCC1=C2NC3=C(O)C=CC=C3C(=O)C2=C(O)C2=C1OC(C2)C(C)(C)O InChI=1S/C23H25NO5/c1-11(2)8-9-13-19-17(20(26)12-6-5-7-15(25)18(12)24-19)21(27)14-10-16(23(3,4)28)29-22(13)14/h5-8,16,25,27-28H,9-10H2,1-4H3,(H,24,26) |
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Synonyms | Not Available |
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Chemical Formula | C23H25NO5 |
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Average Mass | 395.4550 Da |
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Monoisotopic Mass | 395.17327 Da |
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IUPAC Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-en-1-yl)-2H,3H,5H,10H-furo[3,2-b]acridin-5-one |
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Traditional Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-en-1-yl)-2H,3H,10H-furo[3,2-b]acridin-5-one |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCC1=C2NC3=C(O)C=CC=C3C(=O)C2=C(O)C2=C1OC(C2)C(C)(C)O |
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InChI Identifier | InChI=1S/C23H25NO5/c1-11(2)8-9-13-19-17(20(26)12-6-5-7-15(25)18(12)24-19)21(27)14-10-16(23(3,4)28)29-22(13)14/h5-8,16,25,27-28H,9-10H2,1-4H3,(H,24,26) |
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InChI Key | OWZCKIOXGYFDRM-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 acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Benzoquinolines |
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Direct Parent | Acridones |
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Alternative Parents | |
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Substituents | - Acridone
- Dihydroquinolone
- 8-hydroxyquinoline
- Dihydroquinoline
- Coumaran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Tertiary alcohol
- Vinylogous acid
- Vinylogous amide
- Oxacycle
- Ether
- Azacycle
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organic oxygen 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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