Record Information |
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Version | 1.0 |
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Created at | 2024-01-10 00:11:08 UTC |
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Updated at | 2024-09-03 04:18:55 UTC |
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NP-MRD ID | NP0332353 |
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DOI | https://doi.org/10.57994/1566 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Taxifolin |
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Description | Not Available |
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Structure | O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1 InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 |
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Synonyms | Value | Source |
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(+)-Dihydroquercetin | ChEBI | (2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one | ChEBI | (2R,3R)-Dihydroquercetin | ChEBI | (2R-trans)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone | ChEBI | Dihydroquercetin | ChEBI | trans-Dihydroquercetin | ChEBI | (+)-Taxifolin | Kegg | 2,3-trans-Dihydroquercetin | ChEBI | Taxifolin | ChEBI | (+)-(2R,3R)-Dihydroquercetin | PhytoBank | (+)-trans-Taxifolin | PhytoBank | (2R,3R)-(+)-Taxifolin | PhytoBank | (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone | PhytoBank | (2R,3R)-3,3’,4’,5,7-Pentahydroxyflavanone | PhytoBank | 2,3-Dihydroquercetin | PhytoBank | 3,5,7,3',4'-Pentahydroxyflavanone | PhytoBank | 3,5,7,3’,4’-Pentahydroxyflavanone | PhytoBank | Diquertin | PhytoBank | Distylin | PhytoBank | Flamena | PhytoBank | Flamena D | PhytoBank | Jikuberuchin | PhytoBank | Lariksin | PhytoBank | Lavitol | PhytoBank | Taxifoliol | PhytoBank |
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Chemical Formula | C15H12O7 |
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Average Mass | 304.2516 Da |
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Monoisotopic Mass | 304.05830 Da |
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IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one |
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Traditional Name | (+)-taxifolin |
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CAS Registry Number | Not Available |
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SMILES | O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 |
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InChI Key | CXQWRCVTCMQVQX-LSDHHAIUSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-01-10 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-01-10 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-01-10 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 201 MHz, CD3OD, experimental) | bgnzk@missouri.edu | MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-01-10 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-01-10 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.133705802, CD3OD, simulated) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-05-14 | View Spectrum |
| 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 flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively. |
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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 | Flavans |
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Direct Parent | Flavanonols |
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Alternative Parents | |
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Substituents | - Hydroxyflavonoid
- Flavanonol
- 3'-hydroxyflavonoid
- 3-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Chromone
- Benzopyran
- 1-benzopyran
- Chromane
- Catechol
- Aryl alkyl ketone
- Aryl ketone
- Phenol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Benzenoid
- Vinylogous acid
- Secondary alcohol
- Ketone
- Polyol
- Organoheterocyclic compound
- Oxacycle
- Ether
- Organooxygen compound
- Organic oxide
- 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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