Details of the Drug

General Information of Drug (ID: DMZBDO1)

Drug Name
CYANIDIN
Synonyms
Cyanidin; 13306-05-3; UNII-7732ZHU564; 3,5,7,3',4'-Pentahydroxyflavylium; 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol; CHEMBL404515; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium; CHEBI:27843; 3,3',4',5,7-pentahydroxyflavylium; 7732ZHU564; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium; cyanidin cation; 3,3',4,5,7-Pentahydroxyflavylium chloride; cyanidin(1+); Flavylium, 3,3',4',5,7-pentahydroxy-; AC1L2UL2; SCHEMBL20799; 528-58-5 (chloride); DTXSID10157933; MolPort-044-559-814
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 287.24
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C15H11O6+
IUPAC Name
2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol
Canonical SMILES
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O
InChI
InChI=1S/C15H10O6/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)/p+1
InChIKey
VEVZSMAEJFVWIL-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
128861
ChEBI ID
CHEMBL404515
CAS Number
13306-05-3
TTD ID
D0V3PG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactoylglutathione lyase (GLO1) TTV9A7R LGUL_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Biotin--protein ligase (HLCS) OTPDUX30 BPL1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Delphinidin, a dietary anthocyanidin in berry fruits, inhibits human glyoxalase I. Bioorg Med Chem. 2010 Oct 1;18(19):7029-33.
2 Resveratrol compounds inhibit human holocarboxylase synthetase and cause a lean phenotype in Drosophila melanogaster. J Nutr Biochem. 2015 Nov;26(11):1379-84. doi: 10.1016/j.jnutbio.2015.07.004. Epub 2015 Jul 26.