Summary

IMPPAT Phytochemical identifier: IMPHY008934

Phytochemical name: Cyanidin chloride

Synonymous chemical names:
cyanidin chloride

External chemical identifiers:
CID:68247, ChEMBL:CHEMBL511367, FDASRS:2G4283G96U, SureChEMBL:SCHEMBL156277, MolPort-003-939-101

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O.[Cl-]

InChI:
InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H

InChIKey:
COAWNPJQKJEHPG-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)[o+]ccc6)O))cccccc6)O))O.[Cl-]

Functional groups:
[Cl-], cO, c[o+]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccc3ccccc3[o+]2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Hydroxyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Anthocyanidins

NP-Likeness score: 1.666

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Chemical structure download