Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:40:54 UTC |
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Updated at | 2021-06-30 00:18:46 UTC |
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NP-MRD ID | NP0043214 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | gramniphenol D |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | Gramniphenol D belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. gramniphenol D is found in Arundina gramnifolia. It was first documented in 2021 (PMID: 34130369). Based on a literature review a significant number of articles have been published on Gramniphenol D (PMID: 34130276) (PMID: 34130326) (PMID: 34130315) (PMID: 34130243) (PMID: 34130233) (PMID: 34130211). |
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Structure | [H]OC1=C2C(=O)C3=C(C2=C(O[H])C([H])=C1[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[C@@]([H])(O[H])C(=C([H])[H])C([H])([H])[H])=C3[H] InChI=1S/C19H18O6/c1-9(2)14(22)8-25-10-6-11-16(15(7-10)24-3)17-12(20)4-5-13(21)18(17)19(11)23/h4-7,14,20-22H,1,8H2,2-3H3/t14-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H18O6 |
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Average Mass | 342.3470 Da |
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Monoisotopic Mass | 342.11034 Da |
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IUPAC Name | 1,4-dihydroxy-7-{[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-5-methoxy-9H-fluoren-9-one |
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Traditional Name | 1,4-dihydroxy-7-{[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-5-methoxyfluoren-9-one |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C2C(=O)C3=C(C2=C(O[H])C([H])=C1[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[C@@]([H])(O[H])C(=C([H])[H])C([H])([H])[H])=C3[H] |
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InChI Identifier | InChI=1S/C19H18O6/c1-9(2)14(22)8-25-10-6-11-16(15(7-10)24-3)17-12(20)4-5-13(21)18(17)19(11)23/h4-7,14,20-22H,1,8H2,2-3H3/t14-/m1/s1 |
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InChI Key | DEGBJQLDDFJQRR-CQSZACIVSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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Arundina graminifolia | JEOL database | - Hu, Q. -F., et al, J. Nat. Prod. 76, 292 (2013)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Fluorenes |
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Sub Class | Not Available |
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Direct Parent | Fluorenes |
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Alternative Parents | |
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Substituents | - Fluorene
- Anisole
- Phenol ether
- Aryl ketone
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Vinylogous acid
- Ketone
- Secondary alcohol
- Ether
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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 | - Malho Guedes A, Marques R, Domingos AT, Silva AP, Bernardo I, Neves PL, Rodrigues A, Krediet RT: Overhydration May Be the Missing Link between Peritoneal Protein Clearance and Mortality. Nephron. 2021 Jun 15:1-7. doi: 10.1159/000516531. [PubMed:34130276 ]
- Nepal S, Jarusriwanna A, Unnanuntana A: Stress Fracture of the Femoral Shaft in Paget's Disease of Bone: A Case Report. J Bone Metab. 2021 May;28(2):171-178. doi: 10.11005/jbm.2021.28.2.171. Epub 2021 May 31. [PubMed:34130369 ]
- Lindner LH: [Deep vein thrombosis - diagnostics and clarification]. Dtsch Med Wochenschr. 2021 Jun;146(12):832-836. doi: 10.1055/a-1226-5288. Epub 2021 Jun 15. [PubMed:34130326 ]
- Hekimian G, Masi P, Lejeune M, Lebreton G, Chommeloux J, Desnos C, Pineton De Chambrun M, Martin-Toutain I, Nieszkowska A, Brechot N, Schmidt M, Leprince P, Luyt CE, Combes A, Frere C: Extracorporeal Membrane Oxygenation Induces Early Alterations in Coagulation and Fibrinolysis Profiles in COVID-19 Patients with Acute Respiratory Distress Syndrome. Thromb Haemost. 2021 Aug;121(8):1031-1042. doi: 10.1055/a-1529-2257. Epub 2021 Jun 15. [PubMed:34130315 ]
- Cole J, Selby B, Ismail Z, McGirr A: D-cycloserine normalizes long-term motor plasticity after transcranial magnetic intermittent theta-burst stimulation in major depressive disorder. Clin Neurophysiol. 2021 Aug;132(8):1770-1776. doi: 10.1016/j.clinph.2021.04.002. Epub 2021 Apr 21. [PubMed:34130243 ]
- Ji B, Zhang H, Zhou L, Yang J, Zhang K, Yuan X, Ma J, Qian Y: Effect of the rapid increase of salinity on anoxic-oxic biofilm reactor for treatment of high-salt and high-ammonia-nitrogen wastewater. Bioresour Technol. 2021 Oct;337:125363. doi: 10.1016/j.biortech.2021.125363. Epub 2021 Jun 4. [PubMed:34130233 ]
- Yan H, Du X, Wang R, Zhai G: Progress in the study of D-alpha-tocopherol polyethylene glycol 1000 succinate (TPGS) reversing multidrug resistance. Colloids Surf B Biointerfaces. 2021 Sep;205:111914. doi: 10.1016/j.colsurfb.2021.111914. Epub 2021 Jun 8. [PubMed:34130211 ]
- Sutter DO, Bender N: Nutrient status and growth in vegan children. Nutr Res. 2021 Jul;91:13-25. doi: 10.1016/j.nutres.2021.04.005. Epub 2021 May 18. [PubMed:34130207 ]
- Wan X, Cheng C, Gu Y, Shu X, Xie L, Zhao Y: Acute and chronic toxicity of microcystin-LR and phenanthrene alone or in combination to the cladoceran (Daphnia magna). Ecotoxicol Environ Saf. 2021 Sep 1;220:112405. doi: 10.1016/j.ecoenv.2021.112405. Epub 2021 Jun 12. [PubMed:34130182 ]
- Huang G, Ma H, Gan X, Li S, Ma X, Chen S, Yang H, Zhu X, Jiang H, Bi Q, Shao Y, Yang Y, Guo J: Circadian misalignment leads to changes in cortisol rhythms, blood biochemical variables and serum miRNA profiles. Biochem Biophys Res Commun. 2021 Aug 27;567:9-16. doi: 10.1016/j.bbrc.2021.06.015. Epub 2021 Jun 12. [PubMed:34130181 ]
- Hu, Q. -F., et al. (2013). Hu, Q. -F., et al, J. Nat. Prod. 76, 292 (2013). J. Nat. Prod..
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