Record Information |
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Version | 2.0 |
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Created at | 2020-10-21 16:06:45 UTC |
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Updated at | 2021-08-19 23:59:11 UTC |
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NP-MRD ID | NP0001752 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Coniferyl alcohol |
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Provided By | NPAtlas |
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Description | Coniferyl alcohol, also known as (e)-coniferol or trans-coniferol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferyl alcohol exists in all living organisms, ranging from bacteria to humans. Coniferyl alcohol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Coniferyl alcohol is found in Artemisia alba, Artemisia xerophytica, Asparagus cochinchinensis, Bactrocera dorsalis, Broussonetia papyrifera, Carica papaya , Codonopsis pilosula, Coix lacryma-jobi, Coleogyne ramosissima, Echinacea purpurea, Eleutherococcus senticosus, Tabernaemontana divaricata, Fagus grandifolia, Hibiscus taiwanensis, Linum album, Linum flavum, Machilus thunbergii, Magnolia officinalis, Morus bombycis, Mus musculus, Ocimum sanctum , Paecilomyces fulvus, Picea abies, Pinus sylvestris, Pinus taeda, Pisum sativum, Populus tremuloides, Saccharum officinarum, Sambucus racemosa, Stemona collinsae, Vitis vinifera, Wedelia prostrata, Xanthium spinosum and Zea mays . Coniferyl alcohol was first documented in 1998 (PMID: 23195693). Based on a literature review a small amount of articles have been published on Coniferyl alcohol (PMID: 10427706) (PMID: 11430982). |
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Structure | [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C([H])([H])O[H])C([H])=C1OC([H])([H])[H] InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ |
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Synonyms | Value | Source |
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(e)-Coniferol | ChEBI | 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol | ChEBI | 4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol | ChEBI | trans-Coniferol | ChEBI | trans-Coniferyl alcohol | ChEBI | Coniferol | Kegg | (E) 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol | HMDB | 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol | HMDB | 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol | HMDB | 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol | HMDB | 4-(3-Hydroxy-1-propenyl)-2-methoxy-phenol | HMDB | 4-Hydroxy-3-methoxycinnamic alcohol | HMDB | 4-Hydroxy-3-methoxycinnamyl alcohol | HMDB | 4-[(1E)-3-Hydroxyprop-1-en-1-yl]-2-methoxyphenol | HMDB | Coniferyl-alcohol | HMDB | Coniferylic alcohol | HMDB | E-Coniferyl alcohol | HMDB | gamma-Hydroxyisoeugenol | HMDB | p-Hydroxy-m-methoxycinnamyl alcohol | HMDB | Coniferyl alcohol | ChEBI | (E)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol | HMDB | (E)-Coniferyl alcohol | HMDB | 3-(4-Hydroxy-3-methoxyphenyl)-2-propenol | HMDB | 3-(p-Hydroxy-m-methoxyphenyl)-2-propen-1-ol | HMDB | 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenol | HMDB | 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenol | HMDB | 4-[(E)-3-Hydroxy-1-propenyl]-2-methoxyphenol | HMDB | trans-3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol | HMDB | γ-Hydroxyisoeugenol | HMDB |
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Chemical Formula | C10H12O3 |
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Average Mass | 180.2005 Da |
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Monoisotopic Mass | 180.07864 Da |
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IUPAC Name | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
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Traditional Name | coniferyl alcohol |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=CC(\C=C\CO)=C1 |
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InChI Identifier | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ |
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InChI Key | JMFRWRFFLBVWSI-NSCUHMNNSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, DMSO, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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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 | Methoxyphenols |
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Direct Parent | Methoxyphenols |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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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 | |
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Predicted Properties | |
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