Glycyrrhiza isoflavone B
CNP0164208.0 · C21H18O6 · View on COCONUT ↗
Identifiers
| Name | Glycyrrhiza isoflavone B |
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| IUPAC Name | 7-hydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)-5-methoxy-chromen-4-one |
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| COCONUT ID | CNP0164208.0 |
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| InChIKey | SLQRKKBBWHNDFD-UHFFFAOYSA-N |
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| InChI | InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3 |
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| SMILES | COC1=CC(O)=CC2=C1C(=O)C(C1=CC(O)=C3OC(C)(C)C=CC3=C1)=CO2 |
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Properties
| Molecular Formula | C21H18O6 |
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| Molecular Weight | 366.37 |
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| Exact Mass | 366.11034 |
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| Log P (ALogP) | 4.06 |
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| TPSA | 89.13 |
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| H-Bond Donors / Acceptors | 2 / 6 |
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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 | 0.71 |
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| NP-likeness | 2.22 |
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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 | Pyranoisoflavonoids |
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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.
