Record Information |
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Version | 1.0 |
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Created at | 2022-09-04 21:04:30 UTC |
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Updated at | 2022-09-04 21:04:30 UTC |
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NP-MRD ID | NP0201948 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | hispolon |
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Description | Hispolon belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. hispolon is found in Inonotus hispidus, Phellinus igniarius, Phellinus merrillii, Pistacia atlantica and Tropicoporus linteus. It was first documented in 2022 (PMID: 35890318). Based on a literature review a significant number of articles have been published on hispolon (PMID: 35837379) (PMID: 35660410) (PMID: 35350323) (PMID: 34763936). |
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Structure | CC(=O)\C=C(/O)\C=C\C1=CC=C(O)C(O)=C1 InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6- |
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Synonyms | Not Available |
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Chemical Formula | C12H12O4 |
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Average Mass | 220.2240 Da |
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Monoisotopic Mass | 220.07356 Da |
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IUPAC Name | (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one |
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Traditional Name | (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)\C=C(/O)\C=C\C1=CC=C(O)C(O)=C1 |
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InChI Identifier | InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6- |
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InChI Key | QDVIEIMMEUCFMW-QXYPORFMSA-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 catechols. Catechols are compounds containing a 1,2-benzenediol moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Benzenediols |
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Direct Parent | Catechols |
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Alternative Parents | |
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Substituents | - Catechol
- Styrene
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Acryloyl-group
- Vinylogous acid
- Alpha,beta-unsaturated ketone
- Enone
- Ketone
- Enol
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | - Hossain R, Ray P, Sarkar C, Islam MS, Khan RA, Khalipha ABR, Islam MT, Cho WC, Martorell M, Sharifi-Rad J, Butnariu M, Umbetova A, Calina D: Natural Compounds or Their Derivatives against Breast Cancer: A Computational Study. Biomed Res Int. 2022 Jul 5;2022:5886269. doi: 10.1155/2022/5886269. eCollection 2022. [PubMed:35837379 ]
- Lee EK, Koh EM, Kim YN, Song J, Song CH, Jung KJ: Immunomodulatory Effect of Hispolon on LPS-Induced RAW264.7 Cells and Mitogen/Alloantigen-Stimulated Spleen Lymphocytes of Mice. Pharmaceutics. 2022 Jul 6;14(7):1423. doi: 10.3390/pharmaceutics14071423. [PubMed:35890318 ]
- Peng S, Hou Y, Chen Z: Hispolon alleviates oxidative damage by stimulating the Nrf2 signaling pathway in PC12 cells. Arch Biochem Biophys. 2022 Sep 30;727:109303. doi: 10.1016/j.abb.2022.109303. Epub 2022 May 31. [PubMed:35660410 ]
- Ansari MJ, Rahman M, Alharbi KS, Altowayan WM, Ali AMA, Almalki WH, Barkat MA, Singh T, Nasar S, Akhter MH, Beg S, Choudhry H: Hispolon-Loaded Liquid Crystalline Nanoparticles: Development, Stability, In Vitro Delivery Profile, and Assessment of Hepatoprotective Activity in Hepatocellular Carcinoma. ACS Omega. 2022 Mar 10;7(11):9452-9464. doi: 10.1021/acsomega.1c06796. eCollection 2022 Mar 22. [PubMed:35350323 ]
- Purushothaman A, Teena Rose KS, Jacob JM, Varatharaj R, Shashikala K, Janardanan D: Curcumin analogues with improved antioxidant properties: A theoretical exploration. Food Chem. 2022 Mar 30;373(Pt B):131499. doi: 10.1016/j.foodchem.2021.131499. Epub 2021 Oct 30. [PubMed:34763936 ]
- LOTUS database [Link]
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