4'-Hydroxy-5,6,7,8-tetramethoxyflavone
CNP0294428.0 · C19H18O7 · View on COCONUT ↗
Identifiers
| Name | 4'-Hydroxy-5,6,7,8-tetramethoxyflavone |
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| IUPAC Name | 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one |
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| COCONUT ID | CNP0294428.0 |
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| CAS | 36950-98-8 |
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| InChIKey | IECRXMSGDFIOEY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3 |
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| SMILES | COC1=C(OC)C(OC)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1OC |
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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 | 1.13 |
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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.
