CNP0236946.1
CNP0236946.1 · C19H16O4 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0236946.1 |
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| InChIKey | AZSIHEYWWIVBPP-PDGQHHTCSA-N |
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| InChI | InChI=1S/C19H16O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-12H,1-2H3/b18-12- |
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| SMILES | CO/C(=C\C(=O)C1=CC=C2OC=CC2=C1OC)C1=CC=CC=C1 |
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Properties
| Molecular Formula | C19H16O4 |
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| Molecular Weight | 308.33 |
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| Exact Mass | 308.10486 |
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| Log P (ALogP) | 4.31 |
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| TPSA | 48.67 |
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| H-Bond Donors / Acceptors | 0 / 4 |
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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 | 0.40 |
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| NP-likeness | 0.79 |
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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.
