MiMeDB: Showing metabocard for Quinindine (MMDBc0009920)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:17:19 UTC

Update Date

2022-08-27 05:53:37 UTC

Metabolite ID

MMDBc0009920

Metabolite Identification

Common Name

Quinindine

Description

Quinidine, also known as chinidin or (8R,9S)-quinidine, belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety. A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. Quinidine is a drug which is used for the treatment of ventricular pre-excitation and cardiac dysrhythmias. Quinidine is a very strong basic compound (based on its pKa). In humans, quinidine is involved in quinidine action pathway.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(+)-Quinidine	ChEBI
(8R,9S)-Quinidine	ChEBI
(R)-(6-Methoxyquinolin-4-yl)((3S,4R,7S)-3-vinylquinuclidin-7-yl)methanol	ChEBI
(S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol	ChEBI
(S)-(6-Methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol	ChEBI
6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol	ChEBI
alpha-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol	ChEBI
beta-Quinine	ChEBI
Chinidin	ChEBI
Chinidinum	ChEBI
CIN-quin	ChEBI
Conchinin	ChEBI
Conquinine	ChEBI
Kinidin	ChEBI
Pitayine	ChEBI
Quinidina	ChEBI
6-Methoxy-a-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol	Generator
6-Methoxy-α-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol	Generator
a-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol	Generator
Α-(6-methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol	Generator
b-Quinine	Generator
Β-quinine	Generator
Quinidine sulfate	HMDB
Quincardine	HMDB
Sulfate, quinidine	HMDB
Apo-quinidine	HMDB
Apotex brand OF quinidine sulfate	HMDB
Fawns and mcallan brand OF quinidine sulfate	HMDB
Apo quinidine	HMDB
Quinidex	HMDB
Quinora	HMDB
Robins brand OF quinidine sulfate	HMDB
Adaquin	HMDB
Nelson brand OF quinidine sulfate	HMDB

Molecular Formula

C₂₀H₂₄N₂O₂

Average Mass

324.4168

Monoisotopic Mass

324.183778022

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1

InChI Key

LOUPRKONTZGTKE-LHHVKLHASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]Octane moiety.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Cinchona alkaloids

Sub Class

Not Available

Direct Parent

Cinchona alkaloids

Alternative Parents

Substituents

Cinchonan-skeleton
4-quinolinemethanol
Quinoline
Anisole
Quinuclidine
Alkyl aryl ether
Aralkylamine
Piperidine
Pyridine
Benzenoid
Heteroaromatic compound
1,2-aminoalcohol
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Ether
Azacycle
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Amine
Alcohol
Organic oxygen compound
Aromatic alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

cinchona alkaloid (CHEBI:28593 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	3		Metabolic reconstruction; Microbial culture

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0015044

DrugBank ID

DB00908

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

389880

KEGG Compound ID

C06527

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Quinidine

METLIN ID

Not Available

PubChem Compound

441074

PDB ID

Not Available

ChEBI ID

28593

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Quinindine (MMDBc0009920)

MOL for #<Metabolite:0x00007f9acd39c8c0>

3D MOL for #<Metabolite:0x00007f9acd39c8c0>

3D SDF for #<Metabolite:0x00007f9acd39c8c0>

3D-SDF for #<Metabolite:0x00007f9acd39c8c0>

PDB for #<Metabolite:0x00007f9acd39c8c0>

3D PDB for #<Metabolite:0x00007f9acd39c8c0>

SMILES for #<Metabolite:0x00007f9acd39c8c0>

INCHI for #<Metabolite:0x00007f9acd39c8c0>

Structure for #<Metabolite:0x00007f9acd39c8c0>

3D Structure for #<Metabolite:0x00007f9acd39c8c0>