| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-10 21:29:37 UTC |
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| Updated at | 2022-09-10 21:29:37 UTC |
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| NP-MRD ID | NP0305564 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 2,3-dimethoxy-6-[(2e,5e,7e,9r,10r,11e)-10-methoxy-3,7,9,11-tetramethyltetradeca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol |
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| Description | Piericidin B5 belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 2,3-dimethoxy-6-[(2e,5e,7e,9r,10r,11e)-10-methoxy-3,7,9,11-tetramethyltetradeca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol was first documented in 1993 (PMID: 8500999). Based on a literature review very few articles have been published on Piericidin B5. |
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| Structure | CC\C=C(/C)[C@H](OC)[C@H](C)\C=C(/C)\C=C\C\C(C)=C\CC1=NC(OC)=C(OC)C(O)=C1C InChI=1S/C27H41NO4/c1-10-12-20(4)25(30-7)21(5)17-19(3)14-11-13-18(2)15-16-23-22(6)24(29)26(31-8)27(28-23)32-9/h11-12,14-15,17,21,25H,10,13,16H2,1-9H3,(H,28,29)/b14-11+,18-15+,19-17+,20-12+/t21-,25+/m1/s1 |
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| Synonyms | | Value | Source |
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| Piericidin b1 | MeSH |
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| Chemical Formula | C27H41NO4 |
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| Average Mass | 443.6280 Da |
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| Monoisotopic Mass | 443.30356 Da |
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| IUPAC Name | 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyltetradeca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol |
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| Traditional Name | 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyltetradeca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC\C=C(/C)[C@H](OC)[C@H](C)\C=C(/C)\C=C\C\C(C)=C\CC1=NC(OC)=C(OC)C(O)=C1C |
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| InChI Identifier | InChI=1S/C27H41NO4/c1-10-12-20(4)25(30-7)21(5)17-19(3)14-11-13-18(2)15-16-23-22(6)24(29)26(31-8)27(28-23)32-9/h11-12,14-15,17,21,25H,10,13,16H2,1-9H3,(H,28,29)/b14-11+,18-15+,19-17+,20-12+/t21-,25+/m1/s1 |
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| InChI Key | JWSULLTVTKIFHQ-GSVHENJOSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesquiterpenoid
- Farsesane sesquiterpenoid
- Alkyl aryl ether
- Dihydropyridine
- Methylpyridine
- Hydropyridine
- Pyridine
- Heteroaromatic compound
- Vinylogous amide
- Vinylogous ester
- Cyclic ketone
- Azacycle
- Ether
- Dialkyl ether
- Organoheterocyclic compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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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