Compound: Delphinidin
SMILES: [o+]1c(c(O)cc2c1cc(O)cc2O)-c3cc(O)c(O)c(c3)O
InChIKey: JKHRCGUTYDNCLE-UHFFFAOYSA-O
Synonyms: Delphinidin, 13270-61-6, Ephdine, 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol, Flavylium, 3,3',4',5,5',7-hexahydroxy-, 031A4BN94T, IdB 1056, CHEBI:28436, DTXSID80862123, 3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium, CHEBI:38701, RefChem:910665, DTXCID90810933, 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol;chloride, Delfinidol chloride, Delphinidine, Delphinidol, EM6MD4AEHE, 3,3',4',5,5',7-Hexahydroxyflavylium, IdB-1056, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium, CHEMBL590878, Delphinidin cation, BRN 1691007, Delfinidol, UNII-031A4BN94T, 1-Benzopyryium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, SCHEMBL22370, CHEMBL276780, NIOSH/LK9810000, BDBM644036, US11866416, Compound PBF, BDBM50326997, LMPK12010001, AKOS032954895, NCGC00592212-02, LK98100000, NS00074136, ST45026079, C05908, 3,3',4',5,5',7-Hexahydroxyflavylium acid anion, BRD-K79107392-003-01-4, BRD-K79107392-003-02-2, Q63409071, 2-(3,4,5-trihydroxyphenyl)benzo[b]oxin-3,5,7-triol, Flavylium, 3,3',4',5,5',7-hexahydroxy-, acid anion, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid, Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, acid anion, Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium
Theoretical properties:
molecular_formula: C15H11O7+
molecular_weight: 303.24 g/mol
exact_mass: 303.05047769 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 122 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: > 350 °C
Descriptions:
pubchem: Delphinidin is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. It has a role as a biological pigment, an antineoplastic agent and a plant metabolite. It is a conjugate acid of a delphinidin(1-).
chebi: An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera <em>Viola</em> and <em>Delphinium</em>.
chembl: DELPHINIDIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Delphinidin (also delphinidine) is an anthocyanidin, a primary plant pigment, and also an antioxidant.  Delphinidin gives blue hues to flowers in the genera Viola and Delphinium. It also gives the blue-red color of the grape variety Cabernet Sauvignon, and can be found in cranberries and Concord grapes as well as pomegranates, and bilberries.
Delphinidin, like nearly all other anthocyanidins, is pH-sensitive, i.e. a natural pH indicator, and changes from blue in basic solution to red in acidic solution.