Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:53:32 UTC |
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Updated at | 2022-09-09 22:53:32 UTC |
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NP-MRD ID | NP0291701 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (5s)-5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-5h-furan-2-one |
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Description | (-)-Chizhine F belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. It was first documented in 2022 (PMID: 36115659). Based on a literature review a significant number of articles have been published on (-)-chizhine F (PMID: 36115490) (PMID: 36115233) (PMID: 36115425) (PMID: 36115387). |
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Structure | CC(C)=CC(=O)CC(C)=CCCC1=C[C@H](OC1=O)C1=CC(O)=CC=C1O InChI=1S/C21H24O5/c1-13(2)9-17(23)10-14(3)5-4-6-15-11-20(26-21(15)25)18-12-16(22)7-8-19(18)24/h5,7-9,11-12,20,22,24H,4,6,10H2,1-3H3/t20-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H24O5 |
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Average Mass | 356.4180 Da |
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Monoisotopic Mass | 356.16237 Da |
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IUPAC Name | (5S)-5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-2,5-dihydrofuran-2-one |
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Traditional Name | (5S)-5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-5H-furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CC(=O)CC(C)=CCCC1=C[C@H](OC1=O)C1=CC(O)=CC=C1O |
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InChI Identifier | InChI=1S/C21H24O5/c1-13(2)9-17(23)10-14(3)5-4-6-15-11-20(26-21(15)25)18-12-16(22)7-8-19(18)24/h5,7-9,11-12,20,22,24H,4,6,10H2,1-3H3/t20-/m0/s1 |
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InChI Key | JJEVWMMZVRKZMT-FQEVSTJZSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Terpene lactones |
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Alternative Parents | |
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Substituents | - Terpene lactone
- Monoterpenoid
- Monocyclic monoterpenoid
- Aromatic monoterpenoid
- Hydroquinone
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- 2-furanone
- Monocyclic benzene moiety
- Alpha,beta-unsaturated ketone
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Enone
- Dihydrofuran
- Acryloyl-group
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | - Nguyen Wenker T, Natarajan Y, Caskey K, Novoa F, Mansour N, Pham HA, Hou JK, El-Serag HB, Thrift AP: Using Natural Language Processing to Automatically Identify Dysplasia in Pathology Reports for Patients With Barrett's Esophagus. Clin Gastroenterol Hepatol. 2022 Sep 15. pii: S1542-3565(22)00878-3. doi: 10.1016/j.cgh.2022.09.005. [PubMed:36115659 ]
- Yuan Y, Feng L, He X, Wu M, Ai Z, Zhang L, Gong J: Nitrate promoted defluorination of perfluorooctanoic acid in UV/sulfite system: Coupling hydrated electron/reactive nitrogen species-mediated reduction and oxidation. Environ Pollut. 2022 Nov 15;313:120172. doi: 10.1016/j.envpol.2022.120172. Epub 2022 Sep 14. [PubMed:36115490 ]
- Xiao H, Yu J, Hu M, Liu H, Yuan Z, Xue Y, Xue C: Development of novel fermented stinky sea bass and analysis of its taste active compounds, flavor compounds, and quality. Food Chem. 2023 Feb 1;401:134186. doi: 10.1016/j.foodchem.2022.134186. Epub 2022 Sep 9. [PubMed:36115233 ]
- Huang D, Yang X, Liu Y, Huang Z: Prostate Cancer Presenting as a Solitary Sacral Osteolytic Metastasis Mimicking Chordoma on (18)F-FDG PET/CT. Urology. 2022 Dec;170:e3-e5. doi: 10.1016/j.urology.2022.09.003. Epub 2022 Sep 15. [PubMed:36115425 ]
- Nazemosadat-Arsanjani Z, Moein M, Yousuf S, Firuzi O, Choudhary MI: Reassessing the molecular structures of some previously isolated abietane diterpenoids with a naphthalene moiety and the structure-activity relationship (SAR) of quinone diterpenoids. Phytochemistry. 2022 Dec;204:113433. doi: 10.1016/j.phytochem.2022.113433. Epub 2022 Sep 15. [PubMed:36115387 ]
- LOTUS database [Link]
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