5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7,8-dimethoxy-chromen-4-one
CNP0103760.0 · C18H16O7 · View on COCONUT ↗
Identifiers
| IUPAC Name | 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7,8-dimethoxy-chromen-4-one |
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| COCONUT ID | CNP0103760.0 |
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| InChIKey | VQGNXLGTEYJCKS-UHFFFAOYSA-N |
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| InChI | InChI=1S/C18H16O7/c1-22-14-6-9(4-5-10(14)19)13-7-11(20)16-12(21)8-15(23-2)17(24-3)18(16)25-13/h4-8,19,21H,1-3H3 |
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| SMILES | COC1=CC(C2=CC(=O)C3=C(O)C=C(OC)C(OC)=C3O2)=CC=C1O |
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Properties
| Molecular Formula | C18H16O7 |
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| Molecular Weight | 344.32 |
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| Exact Mass | 344.08960 |
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| Log P (ALogP) | 2.90 |
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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 | 0.75 |
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| NP-likeness | 1.27 |
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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.
