Identification
Namealpha-D-quinovopyranose
Accession NumberDB03773  (EXPT01536, EXPT01615, DB04319)
TypeSmall Molecule
GroupsExperimental
Description

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

Structure
Thumb
Synonyms
D-Chinovose
D-Epifucose
D-Glucomethylose
D-Quinovose
Isorhamnose
Isorhodeose
Quinovose
α-D-quinovopyranose
External IDs Not Available
Product Ingredients Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
CategoriesNot Available
UNIIO654621E3T
CAS number7658-08-4
WeightAverage: 164.1565
Monoisotopic: 164.068473494
Chemical FormulaC6H12O5
InChI KeySHZGCJCMOBCMKK-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
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
Pancreatic alpha-amylaseProteinunknownNot AvailableHumanP04746 details
Cyclomaltodextrin glucanotransferaseProteinunknownNot AvailableBacillus circulansP30920 details
Alpha-amylaseProteinunknownNot AvailableBacillus amyloliquefaciensP00692 details
Aldose 1-epimeraseProteinunknownNot AvailableLactococcus lactisQ9ZB17 details
Cyclomaltodextrin glucanotransferaseProteinunknownNot AvailableThermoanaerobacter thermosulfurogenesP26827 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility827.0 mg/mLALOGPS
logP-2.4ALOGPS
logP-1.9ChemAxon
logS0.7ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area90.15 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity34.38 m3·mol-1ChemAxon
Polarizability15.17 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentHexoses
Alternative ParentsOxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Hydrocarbon derivatives
SubstituentsHexose monosaccharide / Oxane / Secondary alcohol / Hemiacetal / Oxacycle / Organoheterocyclic compound / Polyol / Hydrocarbon derivative / Alcohol / Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsD-quinovose (CHEBI:42606 )

Targets

Kind
Protein
Organism
Human
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
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
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. 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. [PubMed:17016423 ]
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
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. 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. [PubMed:17016423 ]
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
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
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. 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. [PubMed:17016423 ]

Enzymes

Kind
Protein
Organism
Human
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

Transporters

Kind
Protein
Organism
Human
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 leucine, valine and isoleucine, and the ketone bodies acetoacetate, beta-hydroxybutyrate and acetate. Functions as high-affinity pyruvate transporter.
Gene Name:
SLC16A7
Uniprot ID:
O60669
Uniprot Name:
Monocarboxylate transporter 2
Molecular Weight:
52199.745 Da
References
  1. 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. [PubMed:9786900 ]
Kind
Protein
Organism
Human
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 leucine, valine and isoleucine, and the ketone bodies acetoacetate, beta-hydroxybutyrate and acetate. Depending on the tissue and on cicumstances, mediates the import or export of lactic acid and ketone bod...
Gene Name:
SLC16A1
Uniprot ID:
P53985
Uniprot Name:
Monocarboxylate transporter 1
Molecular Weight:
53943.685 Da
References
  1. 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. [PubMed:9786900 ]
Drug created on June 13, 2005 07:24 / Updated on September 01, 2017 11:09