Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 07:53:57 UTC |
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Updated at | 2022-09-12 07:53:57 UTC |
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NP-MRD ID | NP0326391 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(8z)-heptadec-8-en-1-yl]-3-{2-[(8z)-heptadec-8-en-1-yl]-4,6-dihydroxyphenyl}-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione |
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Description | Belamcandaquinone G belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 2-[(8z)-heptadec-8-en-1-yl]-3-{2-[(8z)-heptadec-8-en-1-yl]-4,6-dihydroxyphenyl}-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is found in Ardisia gigantifolia. Based on a literature review very few articles have been published on Belamcandaquinone G. |
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Structure | CCCCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1C1=C(CCCCCCC\C=C/CCCCCCCC)C(=O)C(OC)=C(C)C1=O InChI=1S/C48H76O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-41(49)38-43(50)44(40)45-42(47(52)48(53-4)39(3)46(45)51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,37-38,49-50H,5-18,23-36H2,1-4H3/b21-19-,22-20- |
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Synonyms | Not Available |
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Chemical Formula | C48H76O5 |
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Average Mass | 733.1310 Da |
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Monoisotopic Mass | 732.56928 Da |
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IUPAC Name | 2-[(8Z)-heptadec-8-en-1-yl]-3-{2-[(8Z)-heptadec-8-en-1-yl]-4,6-dihydroxyphenyl}-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione |
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Traditional Name | 2-[(8Z)-heptadec-8-en-1-yl]-3-{2-[(8Z)-heptadec-8-en-1-yl]-4,6-dihydroxyphenyl}-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1C1=C(CCCCCCC\C=C/CCCCCCCC)C(=O)C(OC)=C(C)C1=O |
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InChI Identifier | InChI=1S/C48H76O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-41(49)38-43(50)44(40)45-42(47(52)48(53-4)39(3)46(45)51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,37-38,49-50H,5-18,23-36H2,1-4H3/b21-19-,22-20- |
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InChI Key | QFLPGDRMUMZEEK-WRBBJXAJSA-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 resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Benzenediols |
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Direct Parent | Resorcinols |
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Alternative Parents | |
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Substituents | - Resorcinol
- Quinone
- P-benzoquinone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Vinylogous ester
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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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