Record Information |
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Version | 2.0 |
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Created at | 2022-09-04 10:36:11 UTC |
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Updated at | 2022-09-04 10:36:11 UTC |
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NP-MRD ID | NP0193215 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl (3s,6s,7r)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate |
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Description | (-)-Applanatumol Y belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. methyl (3s,6s,7r)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate is found in Ganoderma applanatum. It was first documented in 2022 (PMID: 35723435). Based on a literature review very few articles have been published on (-)-applanatumol Y. |
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Structure | COC(=O)[C@H]1CC[C@@H]2OC3=CC=C(O)C=C3C(=O)[C@H]12 InChI=1S/C14H14O5/c1-18-14(17)8-3-5-11-12(8)13(16)9-6-7(15)2-4-10(9)19-11/h2,4,6,8,11-12,15H,3,5H2,1H3/t8-,11-,12+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H14O5 |
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Average Mass | 262.2610 Da |
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Monoisotopic Mass | 262.08412 Da |
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IUPAC Name | methyl (3S,6S,7R)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0^{3,7}]trideca-1(9),10,12-triene-6-carboxylate |
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Traditional Name | methyl (3S,6S,7R)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0^{3,7}]trideca-1(9),10,12-triene-6-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@H]1CC[C@@H]2OC3=CC=C(O)C=C3C(=O)[C@H]12 |
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InChI Identifier | InChI=1S/C14H14O5/c1-18-14(17)8-3-5-11-12(8)13(16)9-6-7(15)2-4-10(9)19-11/h2,4,6,8,11-12,15H,3,5H2,1H3/t8-,11-,12+/m0/s1 |
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InChI Key | DNYQAKIYBSPDIF-KPXOXKRLSA-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 chromones. Chromones are compounds containing a benzopyran-4-one moiety. |
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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 | Chromones |
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Alternative Parents | |
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Substituents | - Chromone
- Aryl alkyl ketone
- Aryl ketone
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Methyl ester
- Ketone
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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