| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 03:27:19 UTC |
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| Updated at | 2022-09-06 03:27:19 UTC |
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| NP-MRD ID | NP0224893 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol |
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| Description | 8-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol is found in Toddalia asiatica. Based on a literature review very few articles have been published on 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol. |
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| Structure | COC1CC2=C(C(C1OC)C1=CC(OC)=C(O)C(OC)=C1)C(OC)=C(O)C(OC)=C2 InChI=1S/C22H28O8/c1-25-13-7-11(8-14(26-2)19(13)23)17-18-12(10-16(28-4)21(17)29-5)9-15(27-3)20(24)22(18)30-6/h7-9,16-17,21,23-24H,10H2,1-6H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C22H28O8 |
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| Average Mass | 420.4580 Da |
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| Monoisotopic Mass | 420.17842 Da |
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| IUPAC Name | 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol |
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| Traditional Name | 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,6,7-tetramethoxy-5,6,7,8-tetrahydronaphthalen-2-ol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1CC2=C(C(C1OC)C1=CC(OC)=C(O)C(OC)=C1)C(OC)=C(O)C(OC)=C2 |
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| InChI Identifier | InChI=1S/C22H28O8/c1-25-13-7-11(8-14(26-2)19(13)23)17-18-12(10-16(28-4)21(17)29-5)9-15(27-3)20(24)22(18)30-6/h7-9,16-17,21,23-24H,10H2,1-6H3 |
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| InChI Key | APZMLQFLMSYDCT-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 tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Tetralins |
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| Sub Class | Not Available |
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| Direct Parent | Tetralins |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Tetralin
- Dimethoxybenzene
- M-dimethoxybenzene
- Anisole
- Phenoxy compound
- Phenol ether
- Methoxybenzene
- Alkyl aryl ether
- Phenol
- Monocyclic benzene moiety
- Ether
- Dialkyl ether
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic 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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