Record Information |
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Version | 2.0 |
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Created at | 2022-09-09 18:24:38 UTC |
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Updated at | 2022-09-09 18:24:38 UTC |
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NP-MRD ID | NP0288631 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (7s,8s)-8-hydroxy-7-(hydroxymethyl)-5,7-dimethyl-3h,4h,6h,8h-indeno[5,6-c]pyran-1-one |
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Description | Applanatine E belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. (7s,8s)-8-hydroxy-7-(hydroxymethyl)-5,7-dimethyl-3h,4h,6h,8h-indeno[5,6-c]pyran-1-one is found in Ganoderma applanatum. It was first documented in 2022 (PMID: 36113982). Based on a literature review a significant number of articles have been published on Applanatine E (PMID: 36113913) (PMID: 36113919) (PMID: 36113916) (PMID: 36113906) (PMID: 36113808) (PMID: 36113805). |
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Structure | CC1=C2CCOC(=O)C2=CC2=C1C[C@@](C)(CO)[C@H]2O InChI=1S/C15H18O4/c1-8-9-3-4-19-14(18)11(9)5-10-12(8)6-15(2,7-16)13(10)17/h5,13,16-17H,3-4,6-7H2,1-2H3/t13-,15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H18O4 |
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Average Mass | 262.3050 Da |
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Monoisotopic Mass | 262.12051 Da |
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IUPAC Name | (7S,8S)-8-hydroxy-7-(hydroxymethyl)-5,7-dimethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran-1-one |
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Traditional Name | (7S,8S)-8-hydroxy-7-(hydroxymethyl)-5,7-dimethyl-3H,4H,6H,8H-indeno[5,6-c]pyran-1-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C2CCOC(=O)C2=CC2=C1C[C@@](C)(CO)[C@H]2O |
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InChI Identifier | InChI=1S/C15H18O4/c1-8-9-3-4-19-14(18)11(9)5-10-12(8)6-15(2,7-16)13(10)17/h5,13,16-17H,3-4,6-7H2,1-2H3/t13-,15-/m0/s1 |
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InChI Key | WCVRZUHPBSKVLX-ZFWWWQNUSA-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 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzopyrans |
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Sub Class | 2-benzopyrans |
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Direct Parent | 2-benzopyrans |
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Alternative Parents | |
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Substituents | - 2-benzopyran
- Indane
- Benzenoid
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Oxacycle
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Primary alcohol
- Alcohol
- 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 | - Roye S, Calamia M, Robinson A: Examining patterns of executive functioning across dimensions of psychopathology. J Behav Ther Exp Psychiatry. 2022 Dec;77:101778. doi: 10.1016/j.jbtep.2022.101778. Epub 2022 Sep 9. [PubMed:36113913 ]
- Munoz J, Palacios-Corella M, Gomez IJ, Zajickova L, Pumera M: Synthetic Nanoarchitectonics of Functional Organic-Inorganic 2D Germanane Heterostructures via Click Chemistry. Adv Mater. 2022 Sep 16:e2206382. doi: 10.1002/adma.202206382. [PubMed:36113982 ]
- Saranz RJ, Lozano NA, Lozano A, Alegre G, Robredo P, Visconti P, Cruz AA: Relationship between exhaled nitric oxide and biomarkers of atopy in children and adolescents with allergic rhinitis. Acta Otorrinolaringol Esp (Engl Ed). 2022 Sep-Oct;73(5):286-291. doi: 10.1016/j.otoeng.2021.06.005. [PubMed:36113919 ]
- Lhoste C, Lorandel B, Praud C, Marchand A, Mishra R, Dey A, Bernard A, Dumez JN, Giraudeau P: Ultrafast 2D NMR for the analysis of complex mixtures. Prog Nucl Magn Reson Spectrosc. 2022 Jun-Aug;130-131:1-46. doi: 10.1016/j.pnmrs.2022.01.002. Epub 2022 Feb 5. [PubMed:36113916 ]
- Raabe S, Ehring T, Marquenie L, Arntz A, Kindt M: Imagery Rescripting as a stand-alone treatment for posttraumatic stress disorder related to childhood abuse: A randomized controlled trial. J Behav Ther Exp Psychiatry. 2022 Dec;77:101769. doi: 10.1016/j.jbtep.2022.101769. Epub 2022 Sep 9. [PubMed:36113906 ]
- Gao J, Li Z, Chen H: Untangling the effect of solids content on thermal-alkali pre-treatment and anaerobic digestion of sludge. Sci Total Environ. 2023 Jan 10;855:158720. doi: 10.1016/j.scitotenv.2022.158720. Epub 2022 Sep 13. [PubMed:36113808 ]
- Tan H, Wu Q, Hao R, Wang C, Zhai J, Li Q, Cui Y, Wu C: Occurrence, distribution, and driving factors of current-use pesticides in commonly cultivated crops and their potential risks to non-target organisms: A case study in Hainan, China. Sci Total Environ. 2022 Sep 13;854:158640. doi: 10.1016/j.scitotenv.2022.158640. [PubMed:36113805 ]
- Stern GA, Macdonald CR, Carvalho PC, Wolfe T, Ferraz F: Baseline levels and characterization of hydrocarbons in surface marine sediments along the transportation corridor in Hudson Bay: A multivariate analysis of n-alkanes, PAHs and biomarkers. Sci Total Environ. 2023 Jan 10;855:158718. doi: 10.1016/j.scitotenv.2022.158718. Epub 2022 Sep 13. [PubMed:36113804 ]
- Liu Z, Shi Q, Bao Y, Meng X, Meng W: Arsenate removal using titanium dioxide-doped cementitious composites: Mixture design, mechanisms, and simulated sewer application. Sci Total Environ. 2022 Sep 13;854:158754. doi: 10.1016/j.scitotenv.2022.158754. [PubMed:36113790 ]
- Oztan O, Zyga O, Stafford DEJ, Parker KJ: Linking oxytocin and arginine vasopressin signaling abnormalities to social behavior impairments in Prader-Willi syndrome. Neurosci Biobehav Rev. 2022 Nov;142:104870. doi: 10.1016/j.neubiorev.2022.104870. Epub 2022 Sep 13. [PubMed:36113782 ]
- LOTUS database [Link]
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