(2R)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-hydroxypropan-1-one
CNP0514020.1 · C20H20O5 · View on COCONUT ↗
Identifiers
| Name | (2R)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-hydroxypropan-1-one |
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| IUPAC Name | (2~{R})-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-hydroxy-propan-1-one |
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| COCONUT ID | CNP0514020.1 |
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| InChIKey | MHUCLSFCRWJSHM-QGZVFWFLSA-N |
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| InChI | InChI=1S/C20H20O5/c1-20(2)8-7-13-9-12(3-6-18(13)25-20)10-17(23)19(24)15-5-4-14(21)11-16(15)22/h3-9,11,17,21-23H,10H2,1-2H3/t17-/m1/s1 |
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| SMILES | CC1(C)C=CC2=CC(C[C@@H](O)C(=O)C3=CC=C(O)C=C3O)=CC=C2O1 |
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Properties
| Molecular Formula | C20H20O5 |
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| Molecular Weight | 340.38 |
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| Exact Mass | 340.13107 |
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| Log P (ALogP) | 3.07 |
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| TPSA | 86.99 |
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| H-Bond Donors / Acceptors | 3 / 5 |
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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 | 0.74 |
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| NP-likeness | 2.03 |
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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 | Phenylpropanoids and polyketides |
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| Chemical Class | Linear 1,3-diarylpropanoids |
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| Chemical Subclass | Chalcones and dihydrochalcones |
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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.
