Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 09:49:23 UTC |
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Updated at | 2024-09-11 09:49:24 UTC |
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NP-MRD ID | NP0337206 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3,4',5,6,8-Pentamethoxyflavone |
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Description | 3,4',5,6,8-Pentamethoxyflavone, also known as diphenylethoxyphosphine or ethyl diphenylphosphinite, belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 3,4',5,6,8-Pentamethoxyflavone is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 3,4',5,6,8-Pentamethoxyflavone has been detected, but not quantified in, citrus. This could make 3,4',5,6,8-pentamethoxyflavone a potential biomarker for the consumption of these foods. |
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Structure | COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=CC(OC)=C2O1 InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-18(25-4)13(23-2)10-14(24-3)19(15)27-17/h6-10H,1-5H3 |
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Synonyms | Value | Source |
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Diphenylethoxyphosphine | HMDB | Ethyl diphenylphosphinite | HMDB | Phosphinous acid, diphenyl-, ethyl ester | HMDB |
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Chemical Formula | C20H20O7 |
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Average Mass | 372.3686 Da |
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Monoisotopic Mass | 372.12090 Da |
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IUPAC Name | 3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
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Traditional Name | 3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=CC(OC)=C2O1 |
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InChI Identifier | InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-18(25-4)13(23-2)10-14(24-3)19(15)27-17/h6-10H,1-5H3 |
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InChI Key | JPQBOQRCDMMBBM-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | 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 | Belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. |
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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 | O-methylated flavonoids |
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Direct Parent | 8-O-methylated flavonoids |
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Alternative Parents | |
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Substituents | - 3-methoxyflavonoid-skeleton
- 4p-methoxyflavonoid-skeleton
- 5-methoxyflavonoid-skeleton
- 6-methoxyflavonoid-skeleton
- 8-methoxyflavonoid-skeleton
- Flavone
- 3-methoxychromone
- Chromone
- Benzopyran
- 1-benzopyran
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Alkyl aryl ether
- Pyranone
- Monocyclic benzene moiety
- Pyran
- Benzenoid
- Heteroaromatic compound
- Vinylogous ester
- Organoheterocyclic compound
- Ether
- Oxacycle
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen 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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