Glyurallin A
CNP0138948.0 · C21H20O5 · View on COCONUT ↗
Identifiers
| Name | Glyurallin A |
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| IUPAC Name | 1-methoxy-2-(3-methylbut-2-enyl)-6~{H}-benzofuro[3,2-c]chromene-3,9-diol |
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| COCONUT ID | CNP0138948.0 |
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| CAS | 199331-36-7, 213130-81-5 |
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| InChIKey | AEAIWNGAMDGGNB-UHFFFAOYSA-N |
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| InChI | InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3 |
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| SMILES | COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(CO2)C2=CC=C(O)C=C2O1 |
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Properties
| Molecular Formula | C21H20O5 |
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| Molecular Weight | 352.39 |
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| Exact Mass | 352.13107 |
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| Log P (ALogP) | 4.92 |
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| TPSA | 72.06 |
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| H-Bond Donors / Acceptors | 2 / 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 | 0.65 |
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| NP-likeness | 2.02 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | Pterocarpan |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | Furanoisoflavonoids |
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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.
