5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
CNP0301798.0 · C19H18O7 · View on COCONUT ↗
Identifiers
| Name | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone |
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| IUPAC Name | 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-8-methyl-chromen-4-one |
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| COCONUT ID | CNP0301798.0 |
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| InChIKey | WLLOTQCRMSKSCK-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H18O7/c1-9-13(23-2)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-11(20)14(7-10)24-3/h5-8,20-21H,1-4H3 |
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| SMILES | COC1=CC(C2=C(OC)C(=O)C3=C(O)C=C(OC)C(C)=C3O2)=CC=C1O |
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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) | 3.21 |
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| TPSA | 98.36 |
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| H-Bond Donors / Acceptors | 2 / 7 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.74 |
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| NP-likeness | 1.29 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavonols |
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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.
