CNP0348886.1
CNP0348886.1 · C20H18O5 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0348886.1 |
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| InChIKey | GKIZWUHTCYQZHL-ZDLGFXPLSA-N |
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| InChI | InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10- |
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| SMILES | CC(C)=CCC1=C(O)C=CC2=C1O/C(=C\C1=CC=C(O)C(O)=C1)C2=O |
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Properties
| Molecular Formula | C20H18O5 |
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| Molecular Weight | 338.36 |
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| Exact Mass | 338.11542 |
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| Log P (ALogP) | 3.93 |
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| TPSA | 86.99 |
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| H-Bond Donors / Acceptors | 3 / 5 |
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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 | 0.45 |
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| NP-likeness | 1.06 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Aurones |
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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.
