Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 03:58:07 UTC |
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Updated at | 2022-09-12 03:58:07 UTC |
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NP-MRD ID | NP0324107 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-[2-({[2-(3,4-dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol |
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Description | 5-[2-({[2-(3,4-Dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. 5-[2-({[2-(3,4-dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol is found in Sordaria macrospora. Based on a literature review very few articles have been published on 5-[2-({[2-(3,4-dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol. |
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Structure | CC(O)C(O)C=CC1=CC=CC(O)=C1COCC1=C(O)C=CC=C1C=CC(O)C(C)O InChI=1S/C24H30O7/c1-15(25)21(27)11-9-17-5-3-7-23(29)19(17)13-31-14-20-18(6-4-8-24(20)30)10-12-22(28)16(2)26/h3-12,15-16,21-22,25-30H,13-14H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C24H30O7 |
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Average Mass | 430.4970 Da |
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Monoisotopic Mass | 430.19915 Da |
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IUPAC Name | 5-[2-({[2-(3,4-dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol |
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Traditional Name | 5-[2-({[2-(3,4-dihydroxypent-1-en-1-yl)-6-hydroxyphenyl]methoxy}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol |
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CAS Registry Number | Not Available |
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SMILES | CC(O)C(O)C=CC1=CC=CC(O)=C1COCC1=C(O)C=CC=C1C=CC(O)C(C)O |
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InChI Identifier | InChI=1S/C24H30O7/c1-15(25)21(27)11-9-17-5-3-7-23(29)19(17)13-31-14-20-18(6-4-8-24(20)30)10-12-22(28)16(2)26/h3-12,15-16,21-22,25-30H,13-14H2,1-2H3 |
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InChI Key | IMWJOFJUOOBDIY-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, 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 cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamyl alcohols |
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Sub Class | Not Available |
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Direct Parent | Cinnamyl alcohols |
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Alternative Parents | |
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Substituents | - Cinnamyl alcohol
- Benzylether
- Styrene
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic homomonocyclic compound
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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 | 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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