| Record Information |
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| Version | 2.0 |
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| Created at | 2020-12-09 00:53:52 UTC |
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| Updated at | 2021-07-15 16:47:13 UTC |
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| NP-MRD ID | NP0003727 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Cordypyridone D |
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| Provided By | NPAtlas |
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| Description | (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-1H,2H,6H,6aH,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety. Cordypyridone D is found in Cordyceps and Polycephalomyces nipponicus. Based on a literature review very few articles have been published on (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-1H,2H,6H,6aH,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one. |
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| Structure | [H]O[C@@]1([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(OC3=C(C(=O)N(OC([H])([H])[H])C([H])=C3[H])[C@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C17H25NO4/c1-9-8-17(4)11(3)22-12-6-7-18(21-5)16(20)13(12)14(17)10(2)15(9)19/h6-7,9-11,14-15,19H,8H2,1-5H3/t9-,10+,11-,14-,15-,17-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C17H25NO4 |
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| Average Mass | 307.3900 Da |
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| Monoisotopic Mass | 307.17836 Da |
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| IUPAC Name | (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-1H,2H,6H,6aH,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one |
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| Traditional Name | (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-6H,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one |
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| CAS Registry Number | Not Available |
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| SMILES | CON1C=CC2=C([C@@H]3[C@@H](C)[C@@H](O)[C@@H](C)C[C@@]3(C)[C@H](C)O2)C1=O |
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| InChI Identifier | InChI=1S/C17H25NO4/c1-9-8-17(4)11(3)22-12-6-7-18(21-5)16(20)13(12)14(17)10(2)15(9)19/h6-7,9-11,14-15,19H,8H2,1-5H3/t9-,10+,11-,14-,15-,17-/m0/s1 |
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| InChI Key | MQGVAUZSLCHPHW-SXVPISRNSA-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 chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene 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 | Chromenopyridines |
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| Alternative Parents | |
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| Substituents | - Chromenopyridine
- Pyranopyridine
- Alkyl aryl ether
- Pyridinone
- Pyridine
- Cyclic alcohol
- Vinylogous ester
- Heteroaromatic compound
- Secondary alcohol
- Lactam
- Ether
- Azacycle
- Oxacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- 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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