| Phytochemical Name : 3,3',4',5,5',7-Hexahydroxyflavylium |
| PCNDIDOT0689 |
| Pubchem CID : 128853 |
| Molecular formula: C15H11O7+ |
| Canonical SMILES : C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
Synonymes : Delphinidin|13270-61-6|3,3',4',5,5',7-Hexahydroxyflavylium|Delphinidin cation|BRN 1691007|Flavylium, 3,3',4',5,5',7-hexahydroxy-|2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol|UNII-031A4BN94T|CHEBI:28436|031A4BN94T|1-Benzopyryium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-|1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium|CHEMBL590878|IdB-1056|3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride|Delfinidol|2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol|D0ZN1R|SCHEMBL22370|CHEMBL276780|NIOSH/LK9810000|DTXSID80862123|C15H11O7|BDBM50326997|LMPK12010001|AKOS032954895|C15-H11-O7|LS-69059|LK98100000|C05908|3,3',4',5,5',7-Hexahydroxyflavylium acid anion|A829282|Q63409071|Flavylium, 3,3',4',5,5',7-hexahydroxy-, acid anion|2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol|3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid|3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrilium chloride|Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, acid anion|Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -2.790 |
| Log Po/w (XLOGP3) : 0.410 |
| Log Po/w (WLOGP) : 2.610 |
| Log Po/w (MLOGP) : -0.220 |
| Log Po/w (SILICOS-IT) : -0.250 |
| Consensus Log Po/w : -0.050 |