Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:34:18 UTC |
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Updated at | 2021-07-15 16:48:09 UTC |
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NP-MRD ID | NP0004073 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eulatachromene |
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Provided By | NPAtlas |
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Description | (2,2-Dimethyl-2H-chromen-6-yl)methanol belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Eulatachromene is found in Eutypa lata. It was first documented in 2002 (PMID: 11879009). Based on a literature review very few articles have been published on (2,2-dimethyl-2H-chromen-6-yl)methanol (PMID: 16218657) (PMID: 15386117) (PMID: 12943765) (PMID: 12608846). |
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Structure | [H]OC([H])([H])C1=C([H])C([H])=C2OC(C([H])=C([H])C2=C1[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7,13H,8H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C12H14O2 |
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Average Mass | 190.2420 Da |
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Monoisotopic Mass | 190.09938 Da |
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IUPAC Name | (2,2-dimethyl-2H-chromen-6-yl)methanol |
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Traditional Name | (2,2-dimethylchromen-6-yl)methanol |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)OC2=C(C=C1)C=C(CO)C=C2 |
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InChI Identifier | InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7,13H,8H2,1-2H3 |
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InChI Key | QNBPDVUHGIPLIS-UHFFFAOYSA-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 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. |
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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 | 2,2-dimethyl-1-benzopyrans |
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Alternative Parents | |
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Substituents | - 2,2-dimethyl-1-benzopyran
- Alkyl aryl ether
- Benzenoid
- Oxacycle
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic alcohol
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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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General References | - Molyneux RJ, Mahoney N, Bayman P, Wong RY, Meyer K, Irelan N: Eutypa dieback in grapevines: differential production of acetylenic phenol metabolites by strains of Eutypa lata. J Agric Food Chem. 2002 Mar 13;50(6):1393-9. doi: 10.1021/jf011215a. [PubMed:11879009 ]
- Mahoney N, Molyneux RJ, Smith LR, Schoch TK, Rolshausen PE, Gubler WD: Dying-arm disease in grapevines: diagnosis of infection with Eutypa lata by metabolite analysis. J Agric Food Chem. 2005 Oct 19;53(21):8148-55. doi: 10.1021/jf0510236. [PubMed:16218657 ]
- Kim JH, Mahoney N, Chan KL, Molyneux RJ, Campbell BC: Secondary metabolites of the grapevine pathogen Eutypa lata inhibit mitochondrial respiration, based on a model bioassay using the yeast Saccharomyces cerevisiae. Curr Microbiol. 2004 Oct;49(4):282-7. doi: 10.1007/s00284-004-4349-9. [PubMed:15386117 ]
- Mahoney N, Lardner R, Molyneux RJ, Scott ES, Smith LR, Schoch TK: Phenolic and heterocyclic metabolite profiles of the grapevine pathogen Eutypa lata. Phytochemistry. 2003 Sep;64(2):475-84. doi: 10.1016/s0031-9422(03)00337-6. [PubMed:12943765 ]
- Smith LR, Mahoney N, Molyneux RJ: Synthesis and structure-phytotoxicity relationships of acetylenic phenols and chromene metabolites, and their analogues, from the grapevine pathogen Eutypa lata. J Nat Prod. 2003 Feb;66(2):169-76. doi: 10.1021/np020415t. [PubMed:12608846 ]
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