Coenzyme Q2 - Moligand™, ≥95% , CAS No.606-06-4

CAS: 606-06-4 Cat. No.: U335781 Molecular Weight: 318.41 Beilstein Registry Number: 2059805 PubChem CID: 5280346

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | DB08690 | dimethoxy-5-methyl-6-geranyl-1,4-benzoquinone | C00399 | 2,5-cyclohexadiene-1,4-dione, 2-((2e)-3,7-dimethyl-2,6-octadien-1-yl)-5,6-dimethoxy-3-methyl- | D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ubiquinone-10 acts as an inhibitor of the mitochondrial permeability transition pore (MPTP). This inhibitory effect can be counteracted by ubiquinone-5.

Specifications

Synonyms

2-[(2E)-3, 7-dimethylocta-2, 6-dienyl]-5, 6-dimethoxy-3-methylcyclohexa-2, 5-diene-1, 4-dione | DB08690 | dimethoxy-5-methyl-6-geranyl-1, 4-benzoquinone | C00399 | 2, 5-cyclohexadiene-1, 4-dione, 2-((2e)-3, 7-dimethyl-2, 6-octadien-1-yl)-5, 6-dimethoxy-3-methyl- | D

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• InChIKey: SQQWBSBBCSFQGC-JLHYYAGUSA-N
• INCHI: 1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
• Isomeric SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCC=C(C)C
• WGK Germany: 3
• PubChem CID: 5280346
• Molecular Weight: 318.41
• Beilstein: 2059805

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Prenylquinones
          • Level6 Ubiquinones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Prenylquinones
• Direct Parent: Ubiquinones
• Alternative Parents: Monocyclic monoterpenoids P-benzoquinones Vinylogous esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ubiquinone skeleton - Monoterpenoid - Monocyclic monoterpenoid - Quinone - P-benzoquinone - Vinylogous ester - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).
• External Descriptors: ubiquinones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetone (50 mg/ml), and water (Partly miscible).
• Sensitivity: light sensitive
• Refractive Index: n20D1.51 (Predicted)
• Boil Point(°C): 465.78° C at 760 mmHg (Predicted)
• Melt Point(°C): 158.22° C (Predicted)
• Molecular Weight: 318.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 318.183 Da
• Monoisotopic Mass: 318.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 611.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1