| Record Information |
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| Version | 2.0 |
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| Created at | 2024-08-01 18:57:01 UTC |
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| Updated at | 2025-02-11 15:49:32 UTC |
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| NP-MRD ID | NP0333693 |
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| Natural Product DOI | https://doi.org/10.57994/3172 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 7-hydroxy-4′-methoxyisoflavone-3′-O-β-D-(4′′-O-methyl) glucopyranoside |
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| Description | 7-Hydroxy-4′-methoxyisoflavone-3′-O-β-D-(4′′-O-methyl) glucopyranoside belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. 7-hydroxy-4′-methoxyisoflavone-3′-O-β-D-(4′′-O-methyl) glucopyranoside was first documented in 2024 (PMID: 38740342). Based on a literature review very few articles have been published on 7-hydroxy-4′-methoxyisoflavone-3′-O-β-D-(4′′-O-methyl) glucopyranoside. |
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| Structure | CO[C@H]1C(CO)O[C@H](OC2=CC(=CC=C2OC)C2=COC3=CC(O)=CC=C3C2=O)[C@@H](O)[C@H]1O InChI=1S/C23H24O10/c1-29-15-6-3-11(14-10-31-16-8-12(25)4-5-13(16)19(14)26)7-17(15)32-23-21(28)20(27)22(30-2)18(9-24)33-23/h3-8,10,18,20-25,27-28H,9H2,1-2H3/t18?,20-,21+,22+,23+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H24O10 |
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| Average Mass | 460.4350 Da |
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| Monoisotopic Mass | 460.13695 Da |
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| IUPAC Name | 3-(3-{[(2R,3S,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-4-methoxyphenyl)-7-hydroxy-4H-chromen-4-one |
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| Traditional Name | 3-(3-{[(2R,3S,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-4-methoxyphenyl)-7-hydroxychromen-4-one |
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| CAS Registry Number | Not Available |
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| SMILES | CO[C@H]1C(CO)O[C@H](OC2=CC(=CC=C2OC)C2=COC3=CC(O)=CC=C3C2=O)[C@@H](O)[C@H]1O |
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| InChI Identifier | InChI=1S/C23H24O10/c1-29-15-6-3-11(14-10-31-16-8-12(25)4-5-13(16)19(14)26)7-17(15)32-23-21(28)20(27)22(30-2)18(9-24)33-23/h3-8,10,18,20-25,27-28H,9H2,1-2H3/t18?,20-,21+,22+,23+/m1/s1 |
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| InChI Key | LIYVUEWOBINPFQ-DOVPJMDWSA-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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| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600, C2D6OS, simulated) | huixin_cheng@163.com | Shandong University of Traditional Chinese Medicine | Huixin Cheng | 2024-08-01 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Co-culture 'Astragalus membranaceus' & 'Cordyceps kyushuensis' | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Isoflavonoids |
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| Sub Class | Isoflavonoid O-glycosides |
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| Direct Parent | Isoflavonoid O-glycosides |
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| Alternative Parents | |
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| Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-3p-o-glycoside
- Hydroxyisoflavonoid
- Isoflavone
- Fatty acyl glycoside of mono- or disaccharide
- Fatty acyl glycoside
- Alkyl glycoside
- Chromone
- 1-benzopyran
- Benzopyran
- Fatty alcohol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Pyranone
- Dihydropyranone
- Alkyl aryl ether
- Fatty acyl
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyran
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Heteroaromatic compound
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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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