alpha-D-quinovopyranose

Identification

Generic Name

alpha-D-quinovopyranose

DrugBank Accession Number

DB03773

Background

The pyranose form of D-quinovose with an α-configuration at the anomeric position .

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 164.1565
Monoisotopic: 164.068473494
Chemical Formula: C₆H₁₂O₅

Synonyms

D-Chinovose
D-Epifucose
D-Glucomethylose
D-Quinovose
Isorhamnose
Isorhodeose
Quinovose
α-D-quinovopyranose

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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UPancreatic alpha-amylase	Not Available	Humans
UCyclomaltodextrin glucanotransferase	Not Available	Bacillus circulans
UAlpha-amylase	Not Available	Bacillus amyloliquefaciens
UAldose 1-epimerase	Not Available	Lactococcus lactis
UCyclomaltodextrin glucanotransferase	Not Available	Thermoanaerobacter thermosulfurogenes

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Categories

Drug Categories

Chemical TaxonomyProvided by Classyfire

Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
Kingdom: Organic compounds
Super Class: Organic oxygen compounds
Class: Organooxygen compounds
Sub Class: Carbohydrates and carbohydrate conjugates
Direct Parent: Hexoses
Alternative Parents: Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Hydrocarbon derivatives
Substituents: Alcohol / Aliphatic heteromonocyclic compound / Hemiacetal / Hexose monosaccharide / Hydrocarbon derivative / Organoheterocyclic compound / Oxacycle / Oxane / Polyol / Secondary alcohol
Molecular Framework: Aliphatic heteromonocyclic compounds
External Descriptors: D-quinovose (CHEBI:42606)

Affected organisms

Not Available

Chemical Identifiers

UNII: 68BDH91OBS
CAS number: 7658-08-4
InChI Key: SHZGCJCMOBCMKK-DVKNGEFBSA-N
InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
IUPAC Name: (2S,3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol
SMILES: [H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

References

General References

Not Available

External Links

KEGG Compound: C08352
PubChem Compound: 441480
PubChem Substance: 46506823
ChemSpider: 390204
ChEBI: 42606
ZINC: ZINC000002042980
PDBe Ligand: G6D

PDB Entries

1a47 / 1au1 / 1b2y / 1dtu / 1kck / 1mmy / 1ua7 / 1ukq / 2cxg / 2dij …

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	827.0 mg/mL	ALOGPS
logP	-2.4	ALOGPS
logP	-1.9	Chemaxon
logS	0.7	ALOGPS
pKa (Strongest Acidic)	11.3	Chemaxon
pKa (Strongest Basic)	-3.6	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	5	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	90.15 Å²	Chemaxon
Rotatable Bond Count	0	Chemaxon
Refractivity	34.38 m³·mol^-1	Chemaxon
Polarizability	15.17 Å³	Chemaxon
Number of Rings	1	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a71-9300000000-58709e6800d01fa794ab
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00os-0900000000-2fd25b416f5022d25dd5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-4900000000-5e9626749e20ae1bd20e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9600000000-bc55946922c083913fd9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0596-9100000000-b68b73d7078851964dd3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-9521539248f8e5260493
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4u-9000000000-f302506ece1058fcb5ae
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	131.3576684	predicted	DarkChem Lite v0.1.0
[M-H]-	133.94972	predicted	DeepCCS 1.0 (2019)
[M+H]+	133.4400684	predicted	DarkChem Lite v0.1.0
[M+H]+	136.21822	predicted	DeepCCS 1.0 (2019)
[M+Na]+	131.4980684	predicted	DarkChem Lite v0.1.0
[M+Na]+	143.04341	predicted	DeepCCS 1.0 (2019)

Targets

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insights and accelerate drug research.

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Details1. Pancreatic alpha-amylase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Chloride ion binding
Specific Function: Not Available
Gene Name: AMY2A
Uniprot ID: P04746
Uniprot Name: Pancreatic alpha-amylase
Molecular Weight: 57706.51 Da

Details2. Cyclomaltodextrin glucanotransferase

Kind: Protein
Organism: Bacillus circulans
Pharmacological action: Unknown

General Function: Starch binding
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: P30920
Uniprot Name: Cyclomaltodextrin glucanotransferase
Molecular Weight: 78046.265 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details3. Alpha-amylase

Kind: Protein
Organism: Bacillus amyloliquefaciens
Pharmacological action: Unknown

General Function: Calcium ion binding
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: P00692
Uniprot Name: Alpha-amylase
Molecular Weight: 58402.605 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details4. Aldose 1-epimerase

Kind: Protein
Organism: Lactococcus lactis
Pharmacological action: Unknown

General Function: Carbohydrate binding
Specific Function: Converts alpha-aldose to the beta-anomer.
Gene Name: galM
Uniprot ID: Q9ZB17
Uniprot Name: Aldose 1-epimerase
Molecular Weight: 37610.85 Da

Details5. Cyclomaltodextrin glucanotransferase

Kind: Protein
Organism: Thermoanaerobacter thermosulfurogenes
Pharmacological action: Unknown

General Function: Starch binding
Specific Function: Degrades starch to alpha-, beta-, and gamma-cyclodextrins, as well as linear sugars.
Gene Name: amyA
Uniprot ID: P26827
Uniprot Name: Cyclomaltodextrin glucanotransferase
Molecular Weight: 78416.955 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Transporters

Details1. Monocarboxylate transporter 2

Kind: Protein
Organism: Humans
Pharmacological action: Unknown
Actions: Inhibitor

General Function: Symporter activity
Specific Function: Proton-coupled monocarboxylate transporter. Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, branched-chain oxo acids derived from leucin...
Gene Name: SLC16A7
Uniprot ID: O60669
Uniprot Name: Monocarboxylate transporter 2
Molecular Weight: 52199.745 Da

References

Lin RY, Vera JC, Chaganti RS, Golde DW: Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter. J Biol Chem. 1998 Oct 30;273(44):28959-65. [Article]

Details2. Monocarboxylate transporter 1

Kind: Protein
Organism: Humans
Pharmacological action: Unknown
Actions: Inhibitor

General Function: Symporter activity
Specific Function: Proton-coupled monocarboxylate transporter. Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, branched-chain oxo acids derived from leucin...
Gene Name: SLC16A1
Uniprot ID: P53985
Uniprot Name: Monocarboxylate transporter 1
Molecular Weight: 53943.685 Da

References

Lin RY, Vera JC, Chaganti RS, Golde DW: Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter. J Biol Chem. 1998 Oct 30;273(44):28959-65. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52