| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-27 22:47:51 UTC |
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| Updated at | 2022-04-27 22:47:51 UTC |
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| NP-MRD ID | NP0051426 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 5-O-Methylvisamminol |
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| Description | 5-O-methylvisamminol belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system. Thus, 5-O-methylvisamminol is considered to be an aromatic polyketide. 5-O-Methylvisamminol is found in Angelica japonica, Ledebouriella seseloides, Prionosciadium thapsoides and Saposhnikovia divaricata. 5-O-Methylvisamminol was first documented in 2021 (PMID: 34951222). Based on a literature review a small amount of articles have been published on 5-o-methylvisamminol (PMID: 35165529) (PMID: 34951219) (PMID: 34415362) (PMID: 34047101). |
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| Structure | COC1=C2C(=O)C=C(C)OC2=CC2=C1C[C@H](O2)C(C)(C)O InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C16H18O5 |
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| Average Mass | 290.3150 Da |
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| Monoisotopic Mass | 290.11542 Da |
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| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2H,3H,5H-furo[3,2-g]chromen-5-one |
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| Traditional Name | 5-O-methylvisamminol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C2C(=O)C=C(C)OC2=CC2=C1C[C@H](O2)C(C)(C)O |
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| InChI Identifier | InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1 |
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| InChI Key | DGFLRNOCLJGHLY-ZDUSSCGKSA-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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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system. |
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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 | Furanochromones |
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| Alternative Parents | |
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| Substituents | - Furanochromone
- Coumaran
- Anisole
- Alkyl aryl ether
- Pyranone
- Pyran
- Benzenoid
- Heteroaromatic compound
- Tertiary alcohol
- Vinylogous ester
- Ether
- Oxacycle
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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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 | - Wang L, Du Z, Guan Y, Wang B, Pei Y, Zhang L, Fang M: Identifying absorbable bioactive constituents of Yupingfeng Powder acting on COVID-19 through integration of UPLC-Q/TOF-MS and network pharmacology analysis. Chin Herb Med. 2022 Apr;14(2):283-293. doi: 10.1016/j.chmed.2022.02.001. Epub 2022 Feb 9. [PubMed:35165529 ]
- Gao M, Yang RC, Liu Q, Lei W, Rao ZL, Zeng N: [Mechanism of Jingfang Granules in relieving alcohol and protecting liver based on bioinformatics technology]. Zhongguo Zhong Yao Za Zhi. 2021 Nov;46(21):5683-5692. doi: 10.19540/j.cnki.cjcmm.20210721.401. [PubMed:34951222 ]
- Zhang JH, Lin TF, Zhang Y, Chen XH, Liu B, Jiang YY: [Calibration on chromone reference extract and application on quality control of Saposhnikoviae Radix]. Zhongguo Zhong Yao Za Zhi. 2021 Nov;46(21):5658-5664. doi: 10.19540/j.cnki.cjcmm.20210511.302. [PubMed:34951219 ]
- Hu G, Li X, Zhang J, Zhang L, Qi J, Yu B: An integrated strategy for the identification and screening of anti-allergy components from natural products based on calcium fluctuations and cell extraction coupled with HPLC-Q-TOF-MS. Anal Bioanal Chem. 2021 Oct;413(25):6253-6266. doi: 10.1007/s00216-021-03580-5. Epub 2021 Aug 20. [PubMed:34415362 ]
- Guo M, An Q, Shen YJ, Zhao DH, Guo L, Zheng YG, Zhang D: [Quality evaluation of Saposhnikoviae Radix based on QAMS combined with information entropy-response surface method]. Zhongguo Zhong Yao Za Zhi. 2021 May;46(10):2537-2546. doi: 10.19540/j.cnki.cjcmm.20201013.201. [PubMed:34047101 ]
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