5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone
CNP0207417.0 · C19H18O8 · View on COCONUT ↗
Identifiers
| Name | 5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone |
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| IUPAC Name | 5-hydroxy-2-(4-hydroxy-2,3-dimethoxy-phenyl)-7,8-dimethoxy-chromen-4-one |
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| COCONUT ID | CNP0207417.0 |
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| InChIKey | XJMLRDUBVCDIKJ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H18O8/c1-23-14-8-12(22)15-11(21)7-13(27-19(15)18(14)26-4)9-5-6-10(20)17(25-3)16(9)24-2/h5-8,20,22H,1-4H3 |
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| SMILES | COC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(OC)=C3OC)OC2=C1OC |
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Properties
| Molecular Formula | C19H18O8 |
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| Molecular Weight | 374.35 |
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| Exact Mass | 374.10017 |
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| Log P (ALogP) | 2.91 |
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| TPSA | 107.59 |
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| H-Bond Donors / Acceptors | 2 / 8 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.70 |
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| NP-likeness | 1.44 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | O-methylated flavonoids |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
