| Record Information |
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| Version | 2.0 |
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| Created at | 2023-11-29 04:19:09 UTC |
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| Updated at | 2024-09-03 04:18:11 UTC |
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| NP-MRD ID | NP0332152 |
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| Natural Product DOI | https://doi.org/10.57994/1309 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 3'-O-Methylophioglonin |
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| Description | 3'-O-Methylophioglonin belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. Based on a literature review very few articles have been published on 3'-O-Methylophioglonin. |
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| Structure | COC1=C(O)C=CC2=C1COC1=C2OC2=CC(O)=CC(O)=C2C1=O InChI=1S/C17H12O7/c1-22-15-9-6-23-17-14(21)13-11(20)4-7(18)5-12(13)24-16(17)8(9)2-3-10(15)19/h2-5,18-20H,6H2,1H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C17H12O7 |
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| Average Mass | 328.2760 Da |
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| Monoisotopic Mass | 328.05830 Da |
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| IUPAC Name | 1,3,8-trihydroxy-9-methoxy-10,12-dihydro-5,11-dioxatetraphen-12-one |
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| Traditional Name | 1,3,8-trihydroxy-9-methoxy-10H-5,11-dioxatetraphen-12-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C(O)C=CC2=C1COC1=C2OC2=CC(O)=CC(O)=C2C1=O |
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| InChI Identifier | InChI=1S/C17H12O7/c1-22-15-9-6-23-17-14(21)13-11(20)4-7(18)5-12(13)24-16(17)8(9)2-3-10(15)19/h2-5,18-20H,6H2,1H3 |
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| InChI Key | VKINFVPAKMVNJY-UHFFFAOYSA-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, C3D6O, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C3D6O, 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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| Not Available | | 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 pyranoflavonoids. These are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Flavonoids |
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| Sub Class | Pyranoflavonoids |
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| Direct Parent | Pyranoflavonoids |
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| Alternative Parents | |
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| Substituents | - Pyranoflavonoid
- Chromone
- 2-benzopyran
- 1-benzopyran
- Benzopyran
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Dihydropyranone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Oxacycle
- Organoheterocyclic compound
- 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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