3-hydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
CNP0259990.0 · C19H18O7 · View on COCONUT ↗
Identifiers
| Name | 3-hydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
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| IUPAC Name | 3-hydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
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| COCONUT ID | CNP0259990.0 |
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| InChIKey | HHWBLKJFIVNPLK-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)17-16(21)15(20)14-12(26-17)9-13(23-2)18(24-3)19(14)25-4/h5-9,21H,1-4H3 |
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| SMILES | COC1=CC=C(C2=C(O)C(=O)C3=C(OC)C(OC)=C(OC)C=C3O2)C=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 | Flavonols |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | Flavones |
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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.
