2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium
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2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium
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CAS No:
13306-05-3
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Formula:
C15H11O6
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Chemical Name:
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium
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Synonyms:
1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;Flavylium,3,3′,4′,5,7-pentahydroxy-;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium;3,5,7,3′,4′-Pentahydroxyflavylium;Cyanidin;2-(3,4-Dihydroxyphenyl)chromenylium-3,5,7-triol;87725-42-6
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CAS No:
Description
Solid
Cyanidin cation is an anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. It has a role as a metabolite, a neuroprotective agent and an antioxidant. It is a conjugate acid of a cyanidin(1-).
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium Basic Attributes
287.24400
287.05600
208-438-6
7732ZHU564
DTXSID10157933
2907299090
Characteristics
114.29000
2.90890
>300°C
168.33 Ų [M]+ [CCS Type: DT, Method: stepped-field]|167.1 Ų [M*]+
Drug Information
Cyanidin has known human metabolites that include 2,4,6-Trihydroxybenzaldehyde and 3,4-dihydroxyphenylacetic acid.
1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium Use and Manufacturing
Cyanidin is a natural organic compound. It is a particular type of anthocyanidin (glycoside version called anthocyanins). It is a pigment found in many red berries including grapes, bilberry, blackberry, blueberry, cherry, cranberry, elderberry, hawthorn, loganberry, açai berry and raspberry. It can also be found in other fruits such as apples and plums, and in red cabbage and red onion. It has a characteristic reddish-purple color, though this can change with pH; solutions of the compound are red at pH < 3, violet at pH 7-8, and blue at pH > 11. In certain fruits, the highest concentrations of cyanidin are found in the seeds and skin.
Polyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Computed Properties
Molecular Weight:287.24
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:287.05556307
Monoisotopic Mass:287.05556307
Topological Polar Surface Area:102
Heavy Atom Count:21
Formal Charge:1
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium
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