2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
CNP0296172.0 · C18H16O6 · View on COCONUT ↗
Identifiers
| Name | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one |
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| IUPAC Name | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one |
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| COCONUT ID | CNP0296172.0 |
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| InChIKey | UQCFFWBHEHCUQF-UHFFFAOYSA-N |
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| InChI | InChI=1S/C18H16O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-9,19H,1-3H3 |
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| SMILES | COC1=CC(O)=C2C(=O)C=C(C3=CC=CC(OC)=C3OC)OC2=C1 |
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Properties
| Molecular Formula | C18H16O6 |
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| Molecular Weight | 328.32 |
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| Exact Mass | 328.09469 |
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| Log P (ALogP) | 3.19 |
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| TPSA | 78.13 |
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| H-Bond Donors / Acceptors | 1 / 6 |
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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 | 0.79 |
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| NP-likeness | 0.97 |
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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.
