Record Information |
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Version | 1.0 |
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Created at | 2020-09-23 01:57:07 UTC |
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Updated at | 2021-08-10 02:55:22 UTC |
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NP-MRD ID | NP0001575 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Mortivinacin A |
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Provided By | NPAtlas |
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Description | (2,4-Dihydroxy-3,5,6-trimethylphenyl)(methylsulfanyl)methanone belongs to the class of organic compounds known as salicylic acid and derivatives. Salicylic acid and derivatives are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof. Mortivinacin A is found in Mortierella and Umbelopsis vinacea. It was first documented in 1999 (PMID: 10075797). Based on a literature review very few articles have been published on (2,4-dihydroxy-3,5,6-trimethylphenyl)(methylsulfanyl)methanone (PMID: 34340252) (PMID: 34337505) (PMID: 34329479) (PMID: 34314179). |
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Structure | [H]OC1=C(C(O[H])=C(C(=C1C(=O)SC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C11H14O3S/c1-5-6(2)9(12)7(3)10(13)8(5)11(14)15-4/h12-13H,1-4H3 |
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Synonyms | Value | Source |
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(2,4-Dihydroxy-3,5,6-trimethylphenyl)(methylsulphanyl)methanone | Generator |
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Chemical Formula | C11H14O3S |
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Average Mass | 226.2900 Da |
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Monoisotopic Mass | 226.06637 Da |
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IUPAC Name | (2,4-dihydroxy-3,5,6-trimethylphenyl)(methylsulfanyl)methanone |
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Traditional Name | (2,4-dihydroxy-3,5,6-trimethylphenyl)(methylsulfanyl)methanone |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C(C(O[H])=C(C(=C1C(=O)SC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C11H14O3S/c1-5-6(2)9(12)7(3)10(13)8(5)11(14)15-4/h12-13H,1-4H3 |
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InChI Key | QJRMEZDCBCMYBB-UHFFFAOYSA-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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Species Where Detected | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as salicylic acid and derivatives. Salicylic acid and derivatives are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Salicylic acid and derivatives |
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Alternative Parents | |
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Substituents | - Salicylic acid or derivatives
- Thiobenzoic acid or derivatives
- Benzoyl
- M-cresol
- O-cresol
- P-cresol
- Resorcinol
- Phenol
- Vinylogous acid
- Carbothioic s-ester
- Thiocarboxylic acid ester
- Sulfenyl compound
- Carboxylic acid derivative
- Thiocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- 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 | - Soman AG, Gloer JB, Wicklow DT: Antifungal and antibacterial metabolites from a sclerotium-colonizing isolate of Mortierella vinacea. J Nat Prod. 1999 Feb;62(2):386-8. doi: 10.1021/np980411h. [PubMed:10075797 ]
- Liu W, Xue F, Poon MC, Chen L, Jin Z, Zhang L, Yang R: Current status of haemophilia inhibitor management in mainland China: a haemophilia treatment centres survey on treatment preferences and real-world clinical practices. Br J Haematol. 2021 Aug 2. doi: 10.1111/bjh.17677. [PubMed:34340252 ]
- Moller T, Engedal MS, Plum LM, Aasvang EK: Reduced Need for Urinary Bladder Catheterization in the Postanesthesia Care Unit After Implementation of an Evidence-based Protocol: A Prospective Cohort Comparison Study. Eur Urol Open Sci. 2021 Feb 16;26:27-34. doi: 10.1016/j.euros.2021.01.013. eCollection 2021 Apr. [PubMed:34337505 ]
- Bartsch U, Corbin LJ, Hellmich C, Taylor M, Easey KE, Durant C, Marston HM, Timpson NJ, Jones MW: Schizophrenia-associated variation at ZNF804A correlates with altered experience-dependent dynamics of sleep slow waves and spindles in healthy young adults. Sleep. 2021 Jul 30. pii: 6331689. doi: 10.1093/sleep/zsab191. [PubMed:34329479 ]
- Esposito VJ, Liu T, Wang G, Caracciolo A, Vansco MF, Marchetti B, Karsili TNV, Lester MI: Photodissociation Dynamics of CH2OO on Multiple Potential Energy Surfaces: Experiment and Theory. J Phys Chem A. 2021 Aug 5;125(30):6571-6579. doi: 10.1021/acs.jpca.1c03643. Epub 2021 Jul 27. [PubMed:34314179 ]
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