CNP0213801.2
CNP0213801.2 · C15H12O4 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0213801.2 |
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| InChIKey | DXDRHHKMWQZJHT-BAQGIRSFSA-N |
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| InChI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3- |
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| SMILES | O=C(/C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1O |
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Properties
| Molecular Formula | C15H12O4 |
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| Molecular Weight | 256.26 |
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| Exact Mass | 256.07356 |
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| Log P (ALogP) | 2.70 |
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| TPSA | 77.76 |
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| H-Bond Donors / Acceptors | 3 / 4 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.58 |
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| NP-likeness | 0.70 |
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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.
