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]
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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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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: CHEBI:27843
CAS Number: 13306-05-3
TTD ID: D0V3PG

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aryl hydrocarbon receptor (AHR)	OTFE4EYE	AHR_HUMAN	Gene/Protein Processing	[2]
Biotin--protein ligase (HLCS)	OTPDUX30	BPL1_HUMAN	Gene/Protein Processing	[3]
Nitric oxide synthase 3 (NOS3)	OTLDT7NR	NOS3_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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	Pelargonidin activates the AhR and induces CYP1A1 in primary human hepatocytes and human cancer cell lines HepG2 and LS174T. Toxicol Lett. 2013 Apr 26;218(3):253-9.
3	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.
4	A blend of polyphenolic compounds explains the stimulatory effect of red wine on human endothelial NO synthase. Nitric Oxide. 2005 Mar;12(2):97-104.