Sophoraflavone B
CNP0341917.1 · C21H20O9 · View on COCONUT ↗
Identifiers
| Name | Sophoraflavone B |
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| IUPAC Name | 7-hydroxy-2-[4-[(2~{S},5~{S})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one |
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| COCONUT ID | CNP0341917.1 |
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| InChIKey | GSZUGBAEBARHAW-UCYAAXKESA-N |
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| InChI | InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-8,17-23,25-27H,9H2/t17?,18-,19?,20?,21-/m1/s1 |
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| SMILES | O=C1C=C(C2=CC=C(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)C=C2)OC2=CC(O)=CC=C12 |
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Properties
| Molecular Formula | C21H20O9 |
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| Molecular Weight | 416.38 |
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| Exact Mass | 416.11073 |
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| Log P (ALogP) | 0.34 |
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| TPSA | 149.82 |
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| H-Bond Donors / Acceptors | 5 / 9 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.41 |
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| NP-likeness | 1.60 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | Flavonoid glycosides |
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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.
