<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:22 UTC</creation_date>
  <update_date>2019-11-26 03:10:29 UTC</update_date>
  <accession>FDB014621</accession>
  <name>Ubiquinone 10</name>
  <description>Isolated from beef heart. Ubiquinone 10 is found in animal foods.</description>
  <synonyms>
    <synonym>(all-e)-2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione</synonym>
    <synonym>(all-e)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-2,5-cyclohexadiene-1,4-dione</synonym>
    <synonym>2-((all-e)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-P-benzoquinone</synonym>
    <synonym>2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-P-benzoquinone</synonym>
    <synonym>2-[(2e,6e,10e,14e,18e,22e,26e,30e,34e)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl]-5,6-dimethoxy-3-methyl- 2,5-cyclohexadiene-1,4-dione</synonym>
    <synonym>2-[(2e,6e,10e,14e,18e,22e,26e,30e,34e)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone</synonym>
    <synonym>4-Ethyl-5-fluoropyrimidine</synonym>
    <synonym>Adelir</synonym>
    <synonym>all-trans-Ubiquinone</synonym>
    <synonym>Aqua Q 10L10</synonym>
    <synonym>Aqua Q10</synonym>
    <synonym>Bio-quinon</synonym>
    <synonym>Bio-Quinone Q10</synonym>
    <synonym>coenzyme Q10</synonym>
    <synonym>coenzyme-Q10</synonym>
    <synonym>CoQ</synonym>
    <synonym>CoQ10</synonym>
    <synonym>Emitolon</synonym>
    <synonym>Ensorb</synonym>
    <synonym>Heartcin</synonym>
    <synonym>Inokiten</synonym>
    <synonym>Justquinon</synonym>
    <synonym>Kaneka Q10</synonym>
    <synonym>Kudesan</synonym>
    <synonym>Li-q-sorb</synonym>
    <synonym>Liquid-q</synonym>
    <synonym>Neuquinon</synonym>
    <synonym>Neuquinone</synonym>
    <synonym>NSC 140865</synonym>
    <synonym>PureSorb Q 40</synonym>
    <synonym>Q 10aa</synonym>
    <synonym>Q 199</synonym>
    <synonym>Q-gel</synonym>
    <synonym>Q-gel 100</synonym>
    <synonym>Q10</synonym>
    <synonym>Terekol</synonym>
    <synonym>Ube-q</synonym>
    <synonym>Ubidecarenone</synonym>
    <synonym>Ubidecarenone, BAN, INN</synonym>
    <synonym>Ubiquinone 10</synonym>
    <synonym>Ubiquinone 50</synonym>
    <synonym>Ubiquinone Q10</synonym>
    <synonym>Ubiquinone-10</synonym>
    <synonym>Udekinon</synonym>
    <synonym>Unbiquinone</synonym>
    <synonym>Unispheres Q 10</synonym>
  </synonyms>
  <chemical_formula>C59H90O4</chemical_formula>
  <average_molecular_weight>863.3435</average_molecular_weight>
  <monisotopic_moleculate_weight>862.683911368</monisotopic_moleculate_weight>
  <iupac_name>2-[(2E,6E,10E,14E,18E,22Z,26Z,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione</iupac_name>
  <traditional_iupac>2-[(2E,6E,10E,14E,18E,22Z,26Z,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione</traditional_iupac>
  <cas_registry_number>303-98-0</cas_registry_number>
  <smiles>COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O</smiles>
  <inchi>InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30-,48-32-,49-34+,50-36+,51-38+,52-40+,53-42+</inchi>
  <inchikey>ACTIUHUUMQJHFO-KIEOEACUSA-N</inchikey>
  <taxonomy>
    <description> 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).</description>
    <direct_parent>Ubiquinones</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Prenol lipids</class>
    <sub_class>Quinone and hydroquinone lipids</sub_class>
    <molecular_framework>Aliphatic homomonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>P-benzoquinones</alternative_parent>
      <alternative_parent>Polyprenylbenzoquinones</alternative_parent>
      <alternative_parent>Polyterpenoids</alternative_parent>
      <alternative_parent>Vinylogous esters</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Cyclic ketone</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketone</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>P-benzoquinone</substituent>
      <substituent>Polyprenylbenzoquinone</substituent>
      <substituent>Polyterpenoid</substituent>
      <substituent>Quinone</substituent>
      <substituent>Ubiquinone skeleton</substituent>
      <substituent>Vinylogous ester</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>9.94</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.93e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 49.9°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>17.16</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-4.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-[(2E,6E,10E,14E,18E,22Z,26Z,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>863.3435</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>862.683911368</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C59H90O4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30-,48-32-,49-34+,50-36+,51-38+,52-40+,53-42+</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>ACTIUHUUMQJHFO-KIEOEACUSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>52.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>286.61</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>110.66</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>31</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
    <pathway>
      <name>Mitochondrial Electron Transport Chain</name>
      <smpdb_id>SMP00355</smpdb_id>
      <kegg_map_id>map00190</kegg_map_id>
    </pathway>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB01072</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>46245</chebi_id>
  <biocyc_id/>
  <het_id>U10</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce30544418&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30543f68&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30543b58&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30543518&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30542c58&gt;</reference>
    <reference>#&lt;Reference:0x000055ce305424b0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30541f38&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30541a38&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30541538&gt;</reference>
    <reference>#&lt;Reference:0x000055ce30540ca0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce305405c0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053fe90&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053f940&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053f3a0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053ee50&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053e888&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053e040&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053d960&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053d438&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053cec0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053c998&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3053c178&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
