5-hydroxy-7,8,2',5'tetramethoxyflavone
CNP0278496.0 · C19H18O7 · View on COCONUT ↗
Identifiers
| Name | 5-hydroxy-7,8,2',5'tetramethoxyflavone |
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| IUPAC Name | 2-(2,5-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one |
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| COCONUT ID | CNP0278496.0 |
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| InChIKey | ASXMBDKZHRLCAJ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H18O7/c1-22-10-5-6-14(23-2)11(7-10)15-8-12(20)17-13(21)9-16(24-3)18(25-4)19(17)26-15/h5-9,21H,1-4H3 |
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| SMILES | COC1=CC=C(OC)C(C2=CC(=O)C3=C(O)C=C(OC)C(OC)=C3O2)=C1 |
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Properties
| Molecular Formula | C19H18O7 |
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| Molecular Weight | 358.35 |
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| Exact Mass | 358.10525 |
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| Log P (ALogP) | 3.20 |
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| TPSA | 87.36 |
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| H-Bond Donors / Acceptors | 1 / 7 |
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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 | 0.75 |
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| NP-likeness | 1.01 |
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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.
