Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:53:27 UTC |
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Updated at | 2021-06-30 00:19:12 UTC |
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NP-MRD ID | NP0043496 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | kouitchenside F |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | Kouitchenside F belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. kouitchenside F is found in Swertia kouitchensis. It was first documented in 2021 (PMID: 34130235). Based on a literature review a significant number of articles have been published on Kouitchenside F (PMID: 34130186) (PMID: 34130111) (PMID: 34130087) (PMID: 34129877) (PMID: 34129355) (PMID: 34129348). |
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Structure | [H]OC1=C([H])C([H])=C(OC([H])([H])[H])C2=C1C(=O)C1=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(OC([H])([H])[H])=C1O2 InChI=1S/C26H30O16/c1-36-11-4-3-8(27)14-18(32)15-9(28)5-12(23(37-2)24(15)42-22(11)14)40-26-21(35)19(33)17(31)13(41-26)7-39-25-20(34)16(30)10(29)6-38-25/h3-5,10,13,16-17,19-21,25-31,33-35H,6-7H2,1-2H3/t10-,13-,16+,17-,19+,20-,21-,25+,26-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H30O16 |
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Average Mass | 598.5100 Da |
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Monoisotopic Mass | 598.15338 Da |
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IUPAC Name | 1,8-dihydroxy-4,5-dimethoxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-one |
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Traditional Name | 1,8-dihydroxy-4,5-dimethoxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C([H])C([H])=C(OC([H])([H])[H])C2=C1C(=O)C1=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(OC([H])([H])[H])=C1O2 |
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InChI Identifier | InChI=1S/C26H30O16/c1-36-11-4-3-8(27)14-18(32)15-9(28)5-12(23(37-2)24(15)42-22(11)14)40-26-21(35)19(33)17(31)13(41-26)7-39-25-20(34)16(30)10(29)6-38-25/h3-5,10,13,16-17,19-21,25-31,33-35H,6-7H2,1-2H3/t10-,13-,16+,17-,19+,20-,21-,25+,26-/m1/s1 |
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InChI Key | SYNXLCZQPRIZPZ-OOMXKHFZSA-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, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, 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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Swertia kouitchensis | JEOL database | - Wan, L. -S., et al, J. Nat. Prod. 76, 1238 (2013)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. |
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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 | 1-benzopyrans |
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Direct Parent | Xanthones |
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Alternative Parents | |
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Substituents | - Phenolic glycoside
- Xanthone
- Chromone
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Anisole
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Pyran
- Oxane
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Acetal
- Polyol
- Ether
- Oxacycle
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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 | - Picard LP, Prosser RS: Advances in the study of GPCRs by (19)F NMR. Curr Opin Struct Biol. 2021 Jun 12;69:169-176. doi: 10.1016/j.sbi.2021.05.001. [PubMed:34130235 ]
- Wang X, Wu H, Huang J, Gao C, Yin Y, Tang X, Peng D: Reward mechanism of depressive episodes in bipolar disorder: Enhanced theta power in feedback-related negativity. J Affect Disord. 2021 Sep 1;292:217-222. doi: 10.1016/j.jad.2021.05.057. Epub 2021 May 29. [PubMed:34130186 ]
- de Melo TRF, Dulmovits BM, Fernandes GFDS, de Souza CM, Lanaro C, He M, Al Abed Y, Chung MC, Blanc L, Costa FF, Dos Santos JL: Synthesis and pharmacological evaluation of pomalidomide derivatives useful for sickle cell disease treatment. Bioorg Chem. 2021 Jun 10;114:105077. doi: 10.1016/j.bioorg.2021.105077. [PubMed:34130111 ]
- Nishiyama K, Takahashi K, Fukuyama M, Kasuya M, Imai A, Usukura T, Maishi N, Maeki M, Ishida A, Tani H, Hida K, Shigemura K, Hibara A, Tokeshi M: Facile and rapid detection of SARS-CoV-2 antibody based on a noncompetitive fluorescence polarization immunoassay in human serum samples. Biosens Bioelectron. 2021 Oct 15;190:113414. doi: 10.1016/j.bios.2021.113414. Epub 2021 Jun 5. [PubMed:34130087 ]
- Dos Santos Petry L, Pillar Mayer JC, de Giacommeti M, Teixeira de Oliveira D, Razia Garzon L, Martiele Engelmann A, Magalhaes de Matos AFI, Dellamea Baldissera M, Dornelles L, Melazzo de Andrade C, Gonzalez Monteiro S: In vitro and in vivo trypanocidal activity of a benzofuroxan derivative against Trypanosoma cruzi. Exp Parasitol. 2021 Jul-Aug;226-227:108125. doi: 10.1016/j.exppara.2021.108125. Epub 2021 Jun 12. [PubMed:34129877 ]
- Mezzalama M, Guarnaccia V, Martino I, Tabome G, Gullino ML: First report of Fusarium commune causing root and crown rot on maize in Italy. Plant Dis. 2021 Jun 15. doi: 10.1094/PDIS-01-21-0075-PDN. [PubMed:34129355 ]
- Ilyas N, Yang YJ, Liu W, Li X, Pu W, Singh RPP, Li Y: First Report of Bacterial Rot Caused by Pantoea endophytica on Tobacco in Liuyang, China. Plant Dis. 2021 Jun 15. doi: 10.1094/PDIS-04-21-0737-PDN. [PubMed:34129348 ]
- DiFrancesco ML, Mesirca P, Bidaud I, Isbrandt D, Mangoni ME: The funny current in genetically modified mice. Prog Biophys Mol Biol. 2021 Jun 12. pii: S0079-6107(21)00063-8. doi: 10.1016/j.pbiomolbio.2021.06.003. [PubMed:34129872 ]
- Xiaoyun S, Yuyuan Z, Jie X, Yingjie N, Qing X, Yuezhen D, Haiguang X: PHF19 activates hedgehog signaling and promotes tumorigenesis in hepatocellular carcinoma. Exp Cell Res. 2021 Sep 1;406(1):112690. doi: 10.1016/j.yexcr.2021.112690. Epub 2021 Jun 12. [PubMed:34129846 ]
- Majid I, Sameem F, Sultan J, Aleem S: Alopecia areata severity index (AASI): A reliable scoring system to assess the severity of alopecia areata on face and scalp-a pilot study. J Cosmet Dermatol. 2021 Aug;20(8):2565-2570. doi: 10.1111/jocd.14289. Epub 2021 Jun 26. [PubMed:34129730 ]
- Main D, Hird TM, Gao S, Walmsley IA, Ledingham PM: Room temperature atomic frequency comb storage for light. Opt Lett. 2021 Jun 15;46(12):2960-2963. doi: 10.1364/OL.426753. [PubMed:34129584 ]
- Caravedo MA, White AC Jr, Morales ML, Lopez M, Tanabe MB, Baca-Turpo B, Arque E, Madrid D, Vallabh P, Bascope R, Cabada MM: Comparison of Liver Condemnation and Bile Microscopy As Tools to Estimate Fasciola hepatica Prevalence and Burden in the Anta Province of Cusco in Peru. Vector Borne Zoonotic Dis. 2021 Jun 14. doi: 10.1089/vbz.2020.2753. [PubMed:34129405 ]
- Wang C, Li Y, Wang B, Hu X: Genetic Analysis Reveals Relationships Among Populations of Puccinia striiformis f. sp. tritici from the Longnan, Longdong and Central Shaanxi Regions of China. Phytopathology. 2021 Jun 15. doi: 10.1094/PHYTO-07-20-0312-R. [PubMed:34129356 ]
- Shi M, Li YZ: First Report of Leaf Spot Caused by Ramularia sphaeroidea on Vicia villosa var. glabrescens in China. Plant Dis. 2021 Jun 15. doi: 10.1094/PDIS-04-21-0862-PDN. [PubMed:34129354 ]
- Jin Y, Shi F, Liu W, Fu X, Gu T, Han G, Shi Z, Sheng Y, Xu H, Li L, An D: Identification of Resistant Germplasm and Detection of Genes for Resistance to Powdery Mildew and Leaf Rust from 2,978 Wheat Accessions. Plant Dis. 2021 Jun 15. doi: 10.1094/PDIS-03-21-0532-RE. [PubMed:34129353 ]
- Wan, L. -S., et al. (2013). Wan, L. -S., et al, J. Nat. Prod. 76, 1238 (2013). J. Nat. Prod..
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