| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-02 02:49:24 UTC |
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| Updated at | 2022-09-02 02:49:24 UTC |
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| NP-MRD ID | NP0147257 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 3-[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-2,6-dimethoxyphenol |
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| Description | Dalparvinene belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. 3-[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-2,6-dimethoxyphenol is found in Dalbergia parviflora. 3-[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-2,6-dimethoxyphenol was first documented in 2009 (PMID: 19524648). Based on a literature review very few articles have been published on Dalparvinene (PMID: 21835229). |
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| Structure | COC1=CC=C(C\C=C\C2=CC=C(O)C=C2)C(OC)=C1O InChI=1S/C17H18O4/c1-20-15-11-8-13(17(21-2)16(15)19)5-3-4-12-6-9-14(18)10-7-12/h3-4,6-11,18-19H,5H2,1-2H3/b4-3+ |
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| Synonyms | Not Available |
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| Chemical Formula | C17H18O4 |
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| Average Mass | 286.3270 Da |
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| Monoisotopic Mass | 286.12051 Da |
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| IUPAC Name | 3-[(2E)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-2,6-dimethoxyphenol |
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| Traditional Name | 3-[(2E)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-2,6-dimethoxyphenol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC=C(C\C=C\C2=CC=C(O)C=C2)C(OC)=C1O |
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| InChI Identifier | InChI=1S/C17H18O4/c1-20-15-11-8-13(17(21-2)16(15)19)5-3-4-12-6-9-14(18)10-7-12/h3-4,6-11,18-19H,5H2,1-2H3/b4-3+ |
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| InChI Key | VWMLOOICTOCUDD-ONEGZZNKSA-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 cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Linear 1,3-diarylpropanoids |
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| Sub Class | Cinnamylphenols |
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| Direct Parent | Cinnamylphenols |
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| Alternative Parents | |
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| Substituents | - Cinnamylphenol
- Methoxyphenol
- Dimethoxybenzene
- M-dimethoxybenzene
- Methoxybenzene
- Anisole
- Phenoxy compound
- Styrene
- Phenol ether
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Benzenoid
- Monocyclic benzene moiety
- Ether
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxygen compound
- 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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