Oryzafuran
CNP0288405.0 · C16H12O7 · View on COCONUT ↗
Identifiers
| Name | Oryzafuran |
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| IUPAC Name | methyl 2-(3,4-dihydroxyphenyl)-4,6-dihydroxy-benzofuran-3-carboxylate |
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| COCONUT ID | CNP0288405.0 |
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| InChIKey | BVFAKXZUPQTNKN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C16H12O7/c1-22-16(21)14-13-11(20)5-8(17)6-12(13)23-15(14)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3 |
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| SMILES | COC(=O)C1=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12 |
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Properties
| Molecular Formula | C16H12O7 |
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| Molecular Weight | 316.27 |
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| Exact Mass | 316.05830 |
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| Log P (ALogP) | 2.71 |
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| TPSA | 120.36 |
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| H-Bond Donors / Acceptors | 4 / 7 |
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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 | 0.42 |
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| NP-likeness | 1.25 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | 2-arylbenzofurans |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | 2-arylbenzofuran flavonoids |
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| Chemical Subclass | 2-arylbenzofuran flavonoids |
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Reported in GR-MAPs Plants
| Oryza sativa |
as “Oryza sativa; Oryza sativa cv. Heugjinjubyeo” in COCONUT |
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.
