Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:57:08 UTC |
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Updated at | 2021-07-15 17:15:03 UTC |
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NP-MRD ID | NP0013643 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Erinacerin C |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Erinacerin C is found in Hericium erinaceus. It was first documented in 2014 (PMID: 25090632). Based on a literature review a small amount of articles have been published on Erinacerin C (PMID: 25565282) (PMID: 32093422). |
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Structure | [H]OC(=O)C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(O[H])C([H])=C2C(=O)N([H])C([H])([H])C2=C1O[H])\C([H])([H])[H])\C([H])([H])[H] InChI=1S/C18H21NO5/c1-10(4-3-5-11(2)18(23)24)6-7-12-15(20)8-13-14(16(12)21)9-19-17(13)22/h5-6,8,20-21H,3-4,7,9H2,1-2H3,(H,19,22)(H,23,24)/b10-6+,11-5+ |
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Synonyms | Not Available |
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Chemical Formula | C18H21NO5 |
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Average Mass | 331.3680 Da |
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Monoisotopic Mass | 331.14197 Da |
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IUPAC Name | (2E,6E)-8-(4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-dimethylocta-2,6-dienoic acid |
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Traditional Name | (2E,6E)-8-(4,6-dihydroxy-1-oxo-2,3-dihydroisoindol-5-yl)-2,6-dimethylocta-2,6-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C(CC\C=C(/C)C(O)=O)=C/CC1=C(O)C=C2C(=O)NCC2=C1O |
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InChI Identifier | InChI=1S/C18H21NO5/c1-10(4-3-5-11(2)18(23)24)6-7-12-15(20)8-13-14(16(12)21)9-19-17(13)22/h5-6,8,20-21H,3-4,7,9H2,1-2H3,(H,19,22)(H,23,24)/b10-6+,11-5+ |
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InChI Key | NPGOXHBMJMZANB-NVOKHFLUSA-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 | - Wang K, Bao L, Qi Q, Zhao F, Ma K, Pei Y, Liu H: Erinacerins C-L, isoindolin-1-ones with alpha-glucosidase inhibitory activity from cultures of the medicinal mushroom Hericium erinaceus. J Nat Prod. 2015 Jan 23;78(1):146-54. doi: 10.1021/np5004388. Epub 2015 Jan 7. [PubMed:25565282 ]
- Song X, Gaascht F, Schmidt-Dannert C, Salomon CE: Discovery of Antifungal and Biofilm Preventative Compounds from Mycelial Cultures of a Unique North American Hericium sp. Fungus. Molecules. 2020 Feb 20;25(4). pii: molecules25040963. doi: 10.3390/molecules25040963. [PubMed:32093422 ]
- Noh HJ, Yoon JY, Kim GS, Lee SE, Lee DY, Choi JH, Kim SY, Kang KS, Cho JY, Kim KH: Benzyl alcohol derivatives from the mushroom Hericium erinaceum attenuate LPS-stimulated inflammatory response through the regulation of NF-kappaB and AP-1 activity. Immunopharmacol Immunotoxicol. 2014 Oct;36(5):349-54. doi: 10.3109/08923973.2014.947036. Epub 2014 Aug 4. [PubMed:25090632 ]
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