Record Information |
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Version | 1.0 |
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Created at | 2020-08-17 20:04:11 UTC |
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Updated at | 2021-08-10 02:54:47 UTC |
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NP-MRD ID | NP0001498 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4',5,7-Trihydroxy-6,8-dimethylisoflavone |
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Description | 5,7-Dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. 4',5,7-Trihydroxy-6,8-dimethylisoflavone is found in Henriettella fascicularis. It was first documented in 2021 (PMID: 34380192). Based on a literature review very few articles have been published on 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one (PMID: 34380191) (PMID: 34380190) (PMID: 34380189) (PMID: 34380188). |
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Structure | CC1=C(O)C(C)=C2OC=C(C(=O)C2=C1O)C1=CC=C(O)C=C1 InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3 |
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Synonyms | Value | Source |
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4',5,7-Trihydroxy-6,8-dimethylisoflavone | MeSH |
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Chemical Formula | C17H14O5 |
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Average Mass | 298.2940 Da |
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Monoisotopic Mass | 298.08412 Da |
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IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one |
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Traditional Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(O)C(C)=C2OC=C(C(=O)C2=C1O)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3 |
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InChI Key | VSEIMGCATUFLSE-UHFFFAOYSA-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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| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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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, 500Mz, DMSO, simulated) | Rgf8b | | | 2020-08-17 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500Mz, DMSO, simulated) | Rgf8b | | | 2020-08-17 | View Spectrum |
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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 isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | Isoflav-2-enes |
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Direct Parent | Isoflavones |
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Alternative Parents | |
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Substituents | - Hydroxyisoflavonoid
- Isoflavone
- Chromone
- Benzopyran
- 1-benzopyran
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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General References | - Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
- Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
- Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
- Lee Y, Kim SH, Hwang HY, Sohn SH, Choi JW, Kim KH: Perfusion parameters during cardiopulmonary bypass as a predictor of acute kidney injury after aortic valve replacement. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00094. doi: 10.4266/acc.2021.00094. [PubMed:34380189 ]
- MacGregor E, Serre N, Cozzella T, McGovern B, Schindel Martin L: Quilting emergent advanced practice nursing educator identity: an arts-informed approach. Int J Nurs Educ Scholarsh. 2021 Aug 10;18(1). pii: ijnes-2020-0088. doi: 10.1515/ijnes-2020-0088. [PubMed:34380188 ]
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