CNP0316707.1
CNP0316707.1 · C19H16O3 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0316707.1 |
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| InChIKey | NEHCUOFNXQUQDO-OUKQBFOZSA-N |
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| InChI | InChI=1S/C19H16O3/c1-13(12-14-6-4-3-5-7-14)18(20)16-8-9-17-15(10-11-22-17)19(16)21-2/h3-12H,1-2H3/b13-12+ |
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| SMILES | COC1=C(C(=O)/C(C)=C/C2=CC=CC=C2)C=CC2=C1C=CO2 |
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Properties
| Molecular Formula | C19H16O3 |
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| Molecular Weight | 292.33 |
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| Exact Mass | 292.10994 |
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| Log P (ALogP) | 4.73 |
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| TPSA | 39.44 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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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 | 0.52 |
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| NP-likeness | 0.38 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Chalcones |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
