(2~{R},3~{R})-3,6-dihydroxy-7-methoxy-2-phenyl-chroman-4-one
CNP0282433.1 · C16H14O5 · View on COCONUT ↗
Identifiers
| IUPAC Name | (2~{R},3~{R})-3,6-dihydroxy-7-methoxy-2-phenyl-chroman-4-one |
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| COCONUT ID | CNP0282433.1 |
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| InChIKey | XIKPISPBGKXGHV-JKSUJKDBSA-N |
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| InChI | InChI=1S/C16H14O5/c1-20-13-8-12-10(7-11(13)17)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1 |
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| SMILES | COC1=CC2=C(C=C1O)C(=O)[C@H](O)[C@@H](C1=CC=CC=C1)O2 |
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Properties
| Molecular Formula | C16H14O5 |
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| Molecular Weight | 286.28 |
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| Exact Mass | 286.08412 |
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| Log P (ALogP) | 2.08 |
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| TPSA | 75.99 |
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| H-Bond Donors / Acceptors | 2 / 5 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.88 |
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| NP-likeness | 1.78 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Dihydroflavonols |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | O-methylated flavonoids |
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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.
