Summary

IMPPAT Phytochemical identifier: IMPHY007124

Phytochemical name: Delphinidin

Synonymous chemical names:
delphinidin, delphinidin chloride, delphinidine, delphinidol

External chemical identifiers:
CID:68245, ChEMBL:CHEMBL590878, ChEBI:38701, FDASRS:EM6MD4AEHE, SureChEMBL:SCHEMBL22369, MolPort-003-932-836

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.[Cl-]

InChI:
InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H

InChIKey:
FFNDMZIBVDSQFI-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)[o+]ccc6)O))cccO)ccc6)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: 1.64

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Chemical structure download