GLYCYBENZOFURAN
CNP0394532.0 · C21H22O5 · View on COCONUT ↗
Identifiers
| Name | GLYCYBENZOFURAN |
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| IUPAC Name | 4-(6-hydroxy-3-methyl-benzofuran-2-yl)-5-methoxy-6-(3-methylbut-2-enyl)benzene-1,3-diol |
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| COCONUT ID | CNP0394532.0 |
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| InChIKey | OEIIVGQLDAYZNT-UHFFFAOYSA-N |
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| InChI | InChI=1S/C21H22O5/c1-11(2)5-7-15-16(23)10-17(24)19(21(15)25-4)20-12(3)14-8-6-13(22)9-18(14)26-20/h5-6,8-10,22-24H,7H2,1-4H3 |
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| SMILES | COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1=C(C)C2=CC=C(O)C=C2O1 |
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Properties
| Molecular Formula | C21H22O5 |
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| Molecular Weight | 354.40 |
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| Exact Mass | 354.14672 |
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| Log P (ALogP) | 5.04 |
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| TPSA | 83.06 |
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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 | 1 |
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| QED Drug-likeness | 0.57 |
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| NP-likeness | 1.59 |
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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
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.
