Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:30:26 UTC |
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Updated at | 2021-07-15 16:55:00 UTC |
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NP-MRD ID | NP0006510 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Inoscavin D |
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Provided By | NPAtlas |
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Description | Inoscavin D is found in Hymenochaete xerantica and Inonotus. It was first documented in 2006 (PMID: 16908141). Based on a literature review very few articles have been published on 3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one (PMID: 25811373) (PMID: 21468702) (PMID: 26077494) (PMID: 20830471). |
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Structure | [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C3=C(C(=O)O2)C2=C([H])C(O[H])=C(O[H])C([H])=C2[C@@]([H])(OC([H])([H])[H])O3)C([H])=C1O[H] InChI=1S/C21H16O8/c1-27-21-13-9-17(25)16(24)8-12(13)19-18(29-21)7-11(28-20(19)26)4-2-10-3-5-14(22)15(23)6-10/h2-9,21-25H,1H3/b4-2+/t21-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H16O8 |
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Average Mass | 396.3510 Da |
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Monoisotopic Mass | 396.08452 Da |
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IUPAC Name | (6S)-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one |
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Traditional Name | (6S)-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6H-pyrano[4,3-c]isochromen-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1OC2=C(C(=O)OC(\C=C\C3=CC(O)=C(O)C=C3)=C2)C2=CC(O)=C(O)C=C12 |
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InChI Identifier | InChI=1S/C21H16O8/c1-27-21-13-9-17(25)16(24)8-12(13)19-18(29-21)7-11(28-20(19)26)4-2-10-3-5-14(22)15(23)6-10/h2-9,21-25H,1H3/b4-2+ |
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InChI Key | ZWAYHEUXGNTJFZ-DUXPYHPUSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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Classification | Not classified |
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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 | - Lee IK, Jung JY, Seok SJ, Kim WG, Yun BS: Free radical scavengers from the medicinal mushroom Inonotus xeranticus and their proposed biogenesis. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5621-4. doi: 10.1016/j.bmcl.2006.08.016. [PubMed:16908141 ]
- Suabjakyong P, Saiki R, Van Griensven LJ, Higashi K, Nishimura K, Igarashi K, Toida T: Polyphenol extract from Phellinus igniarius protects against acrolein toxicity in vitro and provides protection in a mouse stroke model. PLoS One. 2015 Mar 26;10(3):e0122733. doi: 10.1371/journal.pone.0122733. eCollection 2015. [PubMed:25811373 ]
- Zheng W, Liu Y, Pan S, Yuan W, Dai Y, Wei J: Involvements of S-nitrosylation and denitrosylation in the production of polyphenols by Inonotus obliquus. Appl Microbiol Biotechnol. 2011 Jun;90(5):1763-72. doi: 10.1007/s00253-011-3241-3. Epub 2011 Apr 6. [PubMed:21468702 ]
- Hwang BS, Lee IK, Choi HJ, Yun BS: Anti-influenza activities of polyphenols from the medicinal mushroom Phellinus baumii. Bioorg Med Chem Lett. 2015 Aug 15;25(16):3256-60. doi: 10.1016/j.bmcl.2015.05.081. Epub 2015 May 31. [PubMed:26077494 ]
- Zheng W, Zhao Y, Zheng X, Liu Y, Pan S, Dai Y, Liu F: Production of antioxidant and antitumor metabolites by submerged cultures of Inonotus obliquus cocultured with Phellinus punctatus. Appl Microbiol Biotechnol. 2011 Jan;89(1):157-67. doi: 10.1007/s00253-010-2846-2. Epub 2010 Sep 10. [PubMed:20830471 ]
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