| Phytochemical Name : Petunidin chloride |
| PCNDIDP0060 |
| Pubchem CID : 73386 |
| Molecular formula: C16H13ClO7 |
| Canonical SMILES : COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-] |
Synonymes : Petunidin chloride|1429-30-7|Petunidin|Petunidol|Petunidol chloride|Petunidin (chloride)|3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium chloride|NSC11907|EINECS 215-849-4|NSC 11907|UNII-WRK4Q8K2D8|WRK4Q8K2D8|2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride|NSC-11907|Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, chloride|2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium chloride|2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol;chloride|2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliumchloride|1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride|Petunidin (6CI)|PETUNIDIN [MI]|SCHEMBL21649|C16H13O7.Cl|Benzofuran, 3,4,6-trimethyl-|CHEBI:75035|C16-H13-O7.Cl|MFCD00017580|LS-40159|MS-25476|HY-126410|CS-0103615|C08727|A807987|J-007723|Q3137150|Flavylium,3',4',5,7-pentahydroxy-5'-methoxy-, chloride|2-(3,4-dihydroxy-5-methoxy-phenyl)chromenylium-3,5,7-triol|1-Benzopyrylium,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride|2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium-3,5,7-triol chloride|2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol chloride |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -4.720 |
| Log Po/w (XLOGP3) : 2.710 |
| Log Po/w (WLOGP) : -0.080 |
| Log Po/w (MLOGP) : 0.280 |
| Log Po/w (SILICOS-IT) : 0.270 |
| Consensus Log Po/w : -0.310 |