Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3343)
Drug Name
Delphinidin
Synonyms IdB-1056; 3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride; 3,3',4',5,5',7-Hexahydroxyflavylium chloride;3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrilium chloride
Indication Cardiovascular disease [ICD11: BA00-BE2Z] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 338.69 Topological Polar Surface Area 122
Heavy Atom Count 23 Rotatable Bond Count 1
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
68245
ChEBI ID
CHEBI:38701
CAS Number
8012-95-1
TTD Drug ID
D0ZN1R
Formula
C15H11ClO7
Canonical SMILES
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Gallic acid DM003879
370
Hydrolysis - Hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008577 Delphinidin Gallic acid Hydrolysis - Hydrolysis Unclear [2]
References
1 Delphinidin, a dietary anthocyanidin, inhibits vascular endothelial growth factor receptor-2 phosphorylation. Carcinogenesis. 2006 May;27(5):989-96.
2 Delphinidin Chloride and Its Hydrolytic Metabolite Gallic Acid Promote Differentiation of Regulatory T cells and Have an Anti-inflammatory Effect on the Allograft Model

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