Peonidin 3-Glucoside
Representations & DB's id
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| ChEBI: | CHEBI:74793 | |
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| ChEMBL: | CHEMBL1784263 | |
| PubChem: | 443654 | |
| IUPAC: | (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 | |
| Standard InChI Key: | ZZWPMFROUHHAKY-OUUKCGNVSA-O | |
| SMILES: | OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | 0.69 | |
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| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 464.13 | |
| Topological polar surface area: | 170 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.318 | |
| Number of carbons: | 22 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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