Glyurallin B
CNP0124957.0 · C25H26O6 · View on COCONUT ↗
Identifiers
| Name | Glyurallin B |
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| IUPAC Name | 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
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| COCONUT ID | CNP0124957.0 |
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| CAS | 199331-53-8 |
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| InChIKey | DPLWUTYEBRKBLI-UHFFFAOYSA-N |
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| InChI | InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-21(28)23(15)29)18-12-31-25-17(8-6-14(3)4)19(26)11-20(27)22(25)24(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 |
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| SMILES | CC(C)=CCC1=CC(C2=COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O)=CC(O)=C1O |
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Properties
| Molecular Formula | C25H26O6 |
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| Molecular Weight | 422.48 |
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| Exact Mass | 422.17294 |
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| Log P (ALogP) | 5.30 |
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| TPSA | 111.13 |
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| H-Bond Donors / Acceptors | 4 / 6 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.33 |
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| NP-likeness | 1.88 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | Isoflavones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | Isoflav-2-enes |
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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.
