alpha-D-quinovopyranose
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- PDB Entries
- 1a47 / 1au1 / 1b2y / 1dtu / 1kck / 1mmy / 1ua7 / 1ukq / 2cxg / 2dij … show 7 more
Clinical Trials
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 predictedDarkChem Lite v0.1.0 [M-H]- 133.94972 predictedDeepCCS 1.0 (2019) [M+H]+ 133.4400684 predictedDarkChem Lite v0.1.0 [M+H]+ 136.21822 predictedDeepCCS 1.0 (2019) [M+Na]+ 131.4980684 predictedDarkChem Lite v0.1.0 [M+Na]+ 143.04341 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsPancreatic 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
2. DetailsCyclomaltodextrin 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
3. DetailsAlpha-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
4. DetailsAldose 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
5. DetailsCyclomaltodextrin 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
Transporters
1. DetailsMonocarboxylate 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]
2. DetailsMonocarboxylate 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