Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 14:14:00 UTC |
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Updated at | 2022-09-12 14:14:00 UTC |
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NP-MRD ID | NP0329651 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | guibourtinidol-7-methyl ether |
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Description | Guibourtinidol-7-methyl ether belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, guibourtinidol-7-methyl ether is considered to be a flavonoid. guibourtinidol-7-methyl ether is found in Crinum bulbispermum. It was first documented in 2022 (PMID: 36130424). Based on a literature review a significant number of articles have been published on Guibourtinidol-7-methyl ether (PMID: 36130081) (PMID: 36128672) (PMID: 36127612) (PMID: 36127577). |
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Structure | COC1=CC=C2C[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1 InChI=1S/C16H16O4/c1-19-13-7-4-11-8-14(18)16(20-15(11)9-13)10-2-5-12(17)6-3-10/h2-7,9,14,16-18H,8H2,1H3/t14-,16+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H16O4 |
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Average Mass | 272.3000 Da |
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Monoisotopic Mass | 272.10486 Da |
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IUPAC Name | (2R,3S)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-ol |
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Traditional Name | guibourtinidol-7-methyl ether |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C2C[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C16H16O4/c1-19-13-7-4-11-8-14(18)16(20-15(11)9-13)10-2-5-12(17)6-3-10/h2-7,9,14,16-18H,8H2,1H3/t14-,16+/m0/s1 |
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InChI Key | XPHACJZIOXWENC-GOEBONIOSA-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 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | O-methylated flavonoids |
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Direct Parent | 7-O-methylated flavonoids |
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Alternative Parents | |
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Substituents | - 7-methoxyflavonoid-skeleton
- 3-hydroxyflavonoid
- 4'-hydroxyflavonoid
- Flavan-3-ol
- Hydroxyflavonoid
- Flavan
- Chromane
- Benzopyran
- 1-benzopyran
- Phenol ether
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Ether
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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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General References | - Shashoua Y, Peydaei A, Mortensen MN, Kanstrup AB, Gregory DJ: Real time degradation studies on polyurethane household sponges in Danish weather and marine environments. Mar Pollut Bull. 2022 Nov;184:114128. doi: 10.1016/j.marpolbul.2022.114128. Epub 2022 Sep 18. [PubMed:36130424 ]
- Xu W, Yang R, Hao Y, Song H, Liu Y, Zhang J, Li Y, Wang Q: Discovery of Aldisine and Its Derivatives as Novel Antiviral, Larvicidal, and Antiphytopathogenic-Fungus Agents. J Agric Food Chem. 2022 Oct 5;70(39):12355-12363. doi: 10.1021/acs.jafc.2c04256. Epub 2022 Sep 21. [PubMed:36130081 ]
- Gholamalipour Alamdari E, Taleghani A: New bioactive compounds characterized by liquid chromatography-mass spectrometry and gas chromatography-mass spectrometry in hydro-methanol and petroleum ether extracts of Prosopis farcta (Banks & Sol.) J. F. Macbr weed. J Mass Spectrom. 2022 Sep;57(9):e4884. doi: 10.1002/jms.4884. [PubMed:36128672 ]
- Munar A, Clinton Frazee C 3rd, Garg U: Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) Method for the Quantification of Steroids Androstenedione, Dehydroepiandrosterone, 11-Deoxycortisol, 17-Hydroxyprogesterone, and Testosterone. Methods Mol Biol. 2022;2546:451-457. doi: 10.1007/978-1-0716-2565-1_40. [PubMed:36127612 ]
- van der Gugten JG, Holmes DT: Quantitation of Aldosterone in Serum or Plasma Using Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS). Methods Mol Biol. 2022;2546:45-54. doi: 10.1007/978-1-0716-2565-1_5. [PubMed:36127577 ]
- LOTUS database [Link]
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