Apigenin 7-O-glucoside
CNP0103424.5 · C21H20O10 · View on COCONUT ↗
Identifiers
| Name | Apigenin 7-O-glucoside |
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| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2~{S},4~{S},5~{S})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
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| COCONUT ID | CNP0103424.5 |
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| InChIKey | KMOUJOKENFFTPU-NFRVFMFJSA-N |
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| InChI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16?,18-,19+,20?,21-/m1/s1 |
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| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)=CC(O)=C12 |
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Properties
| Molecular Formula | C21H20O10 |
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| Molecular Weight | 432.38 |
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| Exact Mass | 432.10565 |
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| Log P (ALogP) | 0.05 |
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| TPSA | 170.05 |
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| H-Bond Donors / Acceptors | 6 / 10 |
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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 | 0.33 |
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| NP-likeness | 1.93 |
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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.
