| Record Information |
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| Version | 2.0 |
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| Created at | 2023-11-29 04:09:06 UTC |
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| Updated at | 2024-09-03 04:18:10 UTC |
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| NP-MRD ID | NP0332147 |
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| Natural Product DOI | https://doi.org/10.57994/1304 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 9-O-Ethylmimosoidsone A |
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| Description | 9-O-Ethylmimosoidsone A belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position. Based on a literature review very few articles have been published on 9-O-Ethylmimosoidsone A. |
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| Structure | CCO[C@H](C1=CC=C(OC)C=C1)C1=COC2=CC(O)=CC=C2C1=O InChI=1S/C19H18O5/c1-3-23-19(12-4-7-14(22-2)8-5-12)16-11-24-17-10-13(20)6-9-15(17)18(16)21/h4-11,19-20H,3H2,1-2H3/t19-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H18O5 |
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| Average Mass | 326.3480 Da |
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| Monoisotopic Mass | 326.11542 Da |
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| IUPAC Name | 3-[(R)-ethoxy(4-methoxyphenyl)methyl]-7-hydroxy-4H-chromen-4-one |
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| Traditional Name | 3-[(R)-ethoxy(4-methoxyphenyl)methyl]-7-hydroxychromen-4-one |
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| CAS Registry Number | Not Available |
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| SMILES | CCO[C@H](C1=CC=C(OC)C=C1)C1=COC2=CC(O)=CC=C2C1=O |
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| InChI Identifier | InChI=1S/C19H18O5/c1-3-23-19(12-4-7-14(22-2)8-5-12)16-11-24-17-10-13(20)6-9-15(17)18(16)21/h4-11,19-20H,3H2,1-2H3/t19-/m1/s1 |
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| InChI Key | QPIWXIBTTVZEOF-LJQANCHMSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | 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 | This compound belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Homoisoflavonoids |
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| Sub Class | Homoisoflavones |
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| Direct Parent | Homoisoflavones |
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| Alternative Parents | |
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| Substituents | - Homoisoflavone
- Chromone
- 1-benzopyran
- Benzopyran
- Benzylether
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Dihydropyranone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyran
- Monocyclic benzene moiety
- Heteroaromatic compound
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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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