Peonidin
Representations & DB's id
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| ChEBI: | CHEBI:75314 | |
|---|---|---|
| ChEMBL: | CHEMBL1277324 | |
| PubChem: | 441773 | |
| IUPAC: | 2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol | |
| Standard InChI: | InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1 | |
| Standard InChI Key: | XFDQJKDGGOEYPI-UHFFFAOYSA-O | |
| SMILES: | COc1cc(ccc1O)c1[o+]c2cc(O)cc(c2cc1O)O | |
Molecular propeties
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| AlogP: | 3.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.08 | |
| Topological polar surface area: | 91.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |