Record Information |
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Version | 2.0 |
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Created at | 2020-12-09 03:15:09 UTC |
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Updated at | 2021-07-15 16:54:10 UTC |
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NP-MRD ID | NP0006222 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Inoscavin C |
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Provided By | NPAtlas |
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Description | Inoscavin C belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Inoscavin C is found in Hymenochaete xerantica and Inonotus. It was first documented in 2006 (PMID: 16488146). Based on a literature review very few articles have been published on inoscavin C (PMID: 29271444) (PMID: 25920271) (PMID: 25811373) (PMID: 21468702). |
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Structure | [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C3=C(C(C(=O)C([H])([H])[H])=C(O3)C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])C(=O)O2)C([H])=C1O[H] InChI=1S/C23H16O8/c1-11(24)20-21-19(31-22(20)13-4-7-16(26)18(28)9-13)10-14(30-23(21)29)5-2-12-3-6-15(25)17(27)8-12/h2-10,25-28H,1H3/b5-2+ |
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Synonyms | Not Available |
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Chemical Formula | C23H16O8 |
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Average Mass | 420.3730 Da |
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Monoisotopic Mass | 420.08452 Da |
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IUPAC Name | 3-acetyl-2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4H-furo[3,2-c]pyran-4-one |
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Traditional Name | 3-acetyl-2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)C1=C(OC2=C1C(=O)OC(\C=C\C1=CC(O)=C(O)C=C1)=C2)C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C23H16O8/c1-11(24)20-21-19(31-22(20)13-4-7-16(26)18(28)9-13)10-14(30-23(21)29)5-2-12-3-6-15(25)17(27)8-12/h2-10,25-28H,1H3/b5-2+ |
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InChI Key | HKRPUELQNBGEIC-GORDUTHDSA-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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Description | Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyrans |
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Sub Class | Not Available |
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Direct Parent | Furopyrans |
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Alternative Parents | |
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Substituents | - Furopyran
- Catechol
- Aryl alkyl ketone
- Aryl ketone
- Styrene
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Monocyclic benzene moiety
- Benzenoid
- Pyran
- Furan
- Heteroaromatic compound
- Lactone
- Ketone
- Oxacycle
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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 | - Zheng S, Deng S, Huang Y, Huang M, Zhao P, Ma X, Wen Y, Wang Q, Yang X: Anti-diabetic activity of a polyphenol-rich extract from Phellinus igniarius in KK-Ay mice with spontaneous type 2 diabetes mellitus. Food Funct. 2018 Jan 24;9(1):614-623. doi: 10.1039/c7fo01460k. [PubMed:29271444 ]
- Zan LF, Bao HY, Bau T, Li Y: A new antioxidant pyrano[4,3-c][2]benzopyran-1,6-dione derivative from the medicinal mushroom Fomitiporia ellipsoidea. Nat Prod Commun. 2015 Feb;10(2):315-6. [PubMed:25920271 ]
- 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 ]
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