7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
CNP0259970.0 · C17H14O3 · View on COCONUT ↗
Identifiers
| Name | 7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one |
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| IUPAC Name | 7-methoxy-2-methyl-3-phenyl-chromen-4-one |
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| COCONUT ID | CNP0259970.0 |
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| CAS | 19725-44-1 |
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| InChIKey | XRGWZIGGCNSFRY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3 |
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| SMILES | COC1=CC=C2C(=O)C(C3=CC=CC=C3)=C(C)OC2=C1 |
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Properties
| Molecular Formula | C17H14O3 |
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| Molecular Weight | 266.30 |
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| Exact Mass | 266.09429 |
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| Log P (ALogP) | 3.78 |
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| TPSA | 39.44 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.71 |
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| NP-likeness | -0.10 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | Isoflavonoids |
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| NP Class | |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | O-methylated isoflavonoids |
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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.
