| Phytochemical Name : Petunidin |
| PCNDIDP0058 |
| Pubchem CID : 441774 |
| Molecular formula: C16H13O7+ |
| Canonical SMILES : COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
Synonymes : Petunidin|Petunidol anion|13270-60-5|NIOSH/LK9830000|CHEBI:75318|2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol|LK98300000|3,3',4',5,7-pentahydroxy-5'-methoxyflavylium|3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium acid anion|2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium|Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, acid anion|1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-|Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, acid anion|SCHEMBL21650|CHEMBL1275624|DTXSID60862666|BDBM50347142|LMPK12010005|Q27145212|2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyran-1-ium|2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -2.010 |
| Log Po/w (XLOGP3) : 1.910 |
| Log Po/w (WLOGP) : 2.920 |
| Log Po/w (MLOGP) : 0.030 |
| Log Po/w (SILICOS-IT) : 0.270 |
| Consensus Log Po/w : 0.630 |