Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 04:41:41 UTC |
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Updated at | 2022-09-10 04:41:41 UTC |
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NP-MRD ID | NP0295614 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(1s,2r)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one |
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Description | Citbismine F 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. 2-[(1s,2r)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one is found in Citrus paradisi. Based on a literature review very few articles have been published on Citbismine F. |
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Structure | COC1=CC=C2C(=O)C3=C(O)C([C@H]4[C@@H](OC5=CC(O)=C6C(=O)C7=CC=CC(O)=C7N(C)C6=C45)C(C)(C)O)=C(OC)C=C3N(C)C2=C1OC InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3/t27-,35+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C36H34N2O10 |
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Average Mass | 654.6720 Da |
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Monoisotopic Mass | 654.22135 Da |
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IUPAC Name | 2-[(1S,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one |
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Traditional Name | 2-[(1S,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C2C(=O)C3=C(O)C([C@H]4[C@@H](OC5=CC(O)=C6C(=O)C7=CC=CC(O)=C7N(C)C6=C45)C(C)(C)O)=C(OC)C=C3N(C)C2=C1OC |
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InChI Identifier | InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3/t27-,35+/m0/s1 |
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InChI Key | RHEWDZDNLMBJJF-JCVFDAPQSA-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
- Anisole
- Phenol ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Pyridine
- Benzenoid
- Tertiary alcohol
- Heteroaromatic compound
- Vinylogous acid
- Vinylogous amide
- Azacycle
- Oxacycle
- Ether
- Alcohol
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- 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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