| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-29 00:00:57 UTC |
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| Updated at | 2022-04-29 00:00:57 UTC |
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| NP-MRD ID | NP0078929 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Artochamin E |
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| Description | (10R)-1,3,6,8,9-pentahydroxy-4-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-11,12-dihydro-10H-5-oxatetraphen-12-one belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Artochamin E is found in Artocarpus chama. Based on a literature review very few articles have been published on (10R)-1,3,6,8,9-pentahydroxy-4-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-11,12-dihydro-10H-5-oxatetraphen-12-one. |
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| Structure | CC(C)=CCC1=C2OC3=C(C[C@H](C(C)=C)C4=C(O)C(O)=CC(O)=C34)C(=O)C2=C(O)C=C1O InChI=1S/C25H24O7/c1-10(2)5-6-12-15(26)8-17(28)21-22(30)14-7-13(11(3)4)19-20(25(14)32-24(12)21)16(27)9-18(29)23(19)31/h5,8-9,13,26-29,31H,3,6-7H2,1-2,4H3/t13-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C25H24O7 |
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| Average Mass | 436.4600 Da |
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| Monoisotopic Mass | 436.15220 Da |
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| IUPAC Name | (10R)-1,3,6,8,9-pentahydroxy-4-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-11,12-dihydro-10H-5-oxatetraphen-12-one |
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| Traditional Name | (10R)-1,3,6,8,9-pentahydroxy-4-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-10,11-dihydro-5-oxatetraphen-12-one |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)=CCC1=C2OC3=C(C[C@H](C(C)=C)C4=C(O)C(O)=CC(O)=C34)C(=O)C2=C(O)C=C1O |
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| InChI Identifier | InChI=1S/C25H24O7/c1-10(2)5-6-12-15(26)8-17(28)21-22(30)14-7-13(11(3)4)19-20(25(14)32-24(12)21)16(27)9-18(29)23(19)31/h5,8-9,13,26-29,31H,3,6-7H2,1-2,4H3/t13-/m1/s1 |
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| InChI Key | YLQHACOUEASQOY-CYBMUJFWSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzopyrans |
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| Sub Class | 1-benzopyrans |
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| Direct Parent | Xanthones |
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| Alternative Parents | |
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| Substituents | - Xanthone
- Naphthopyranone
- Naphthopyran
- 1-naphthol
- Chromone
- Naphthalene
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Benzenoid
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Oxacycle
- Polyol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- 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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