Record Information
Version1.0
Created at2020-04-17 19:09:08 UTC
Updated at2020-12-07 19:11:34 UTC
CannabisDB IDCDB005098
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameCoenzyme Q10
DescriptionCoenzyme Q10, also known as CoQ or adelir, 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). Thus, coenzyme Q10 is considered to be a quinone lipid molecule. Coenzyme Q10 is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Coenzyme Q10 is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
Synonyms
ValueSource
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-benzoquinoneChEBI
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-benzoquinoneChEBI
AdelirChEBI
all-trans-UbiquinoneChEBI
CoQChEBI
CoQ10ChEBI
QChEBI
Q 199ChEBI
Q10ChEBI
UbidecarenoneChEBI
UbiquinoneChEBI
Ubiquinone 10ChEBI
Ubiquinone 50ChEBI
UBIQUINONE-10ChEBI
CoQ 10HMDB
2,3-Dimethoxy-5-methyl-6-decaprenylbenzoquinoneHMDB
Bio-quinone Q10HMDB
Ubiquinone Q10HMDB
Q-TerHMDB
CO-Enzyme Q10HMDB
(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-dioneHMDB
(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-dioneHMDB
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-benzoquinoneHMDB
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-dioneHMDB
4-Ethyl-5-fluoropyrimidineHMDB
Aqua Q 10l10HMDB
Aqua Q10HMDB
Bio-quinonHMDB
EnsorbHMDB
Kaneka Q10HMDB
KudesanHMDB
Li-Q-sorbHMDB
Liquid-QHMDB
NeuquinonHMDB
NeuquinoneHMDB
PureSorb Q 40HMDB
Q 10AAHMDB
Q-GelHMDB
Q-Gel 100HMDB
UnbiquinoneHMDB
Unispheres Q 10HMDB
Coenzyme Q10KEGG
Chemical FormulaC59H90O4
Average Molecular Weight863.34
Monoisotopic Molecular Weight862.6839
IUPAC Name2-[(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-methylcyclohexa-2,5-diene-1,4-dione
Traditional Namecoenzyme-Q10
CAS Registry Number303-98-0
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
InChI Identifier
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 KeyACTIUHUUMQJHFO-UPTCCGCDSA-N
Chemical 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).
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassQuinone and hydroquinone lipids
Direct ParentUbiquinones
Alternative Parents
Substituents
  • Polyterpenoid
  • Polyprenylbenzoquinone
  • Ubiquinone skeleton
  • Quinone
  • P-benzoquinone
  • Vinylogous ester
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point48–52 °CWikipedia
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.94ALOGPS
logP17.16ChemAxon
logS-6.6ALOGPS
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count31ChemAxon
Refractivity286.61 m³·mol⁻¹ChemAxon
Polarizability112.37 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dj-0211112090-13e67655f61e48a95d91Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00kb-0859598220-67d1d2437197bf4977c9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014j-1132229710-87eed3c798b1c43399ecSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0000000090-68b5c91d1736a6033778Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-08fs-0100000390-3f2c6d6cc684a14c6586Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000b-8100000890-af49da707a25798624aeSpectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
NADH-ubiquinone oxidoreductase chain 1MT-ND1P03886 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrialNDUFS21q23O75306 details
NADH-ubiquinone oxidoreductase chain 4LMT-ND4LP03901 details
NADH-ubiquinone oxidoreductase chain 5MT-ND5P03915 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrialNDUFS311p11.11O75489 details
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrialNDUFV218p11.22P19404 details
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrialSDHA5p15P31040 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrialNDUFS811q13O00217 details
NADH-ubiquinone oxidoreductase chain 2MT-ND2P03891 details
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrialNDUFS12q33-q34P28331 details
Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrialETFDH4q32-q35Q16134 details
NADH-ubiquinone oxidoreductase chain 4MT-ND4P03905 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrialNDUFS719p13.3O75251 details
NADH-ubiquinone oxidoreductase chain 3MT-ND3P03897 details
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrialNDUFV111q13P49821 details
NADH-ubiquinone oxidoreductase chain 6MT-ND6P03923 details
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrialSDHB1p36.1-p35P21912 details
TransportersNot Available
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrialNDUFS21q23O75306 details
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrialNDUFV218p11.22P19404 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrialNDUFS811q13O00217 details
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrialNDUFS12q33-q34P28331 details
Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrialETFDH4q32-q35Q16134 details
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrialNDUFS719p13.3O75251 details
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrialNDUFV111q13P49821 details
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrialSDHB1p36.1-p35P21912 details
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0001072
DrugBank IDDB09270
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013228
KNApSAcK IDC00002866
Chemspider IDNot Available
KEGG Compound IDC11378
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCoenzyme_Q10
METLIN IDNot Available
PubChem Compound5281915
PDB IDNot Available
ChEBI ID46245
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 25 proteins in total.

Enzymes

General function:
Involved in oxidation reduction
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
MT-ND1
Uniprot ID:
P03886
Molecular weight:
35660.055
General function:
Involved in oxidoreductase activity, acting on NADH or NADPH
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
NDUFS2
Uniprot ID:
O75306
Molecular weight:
51851.59
General function:
Involved in oxidoreductase activity, acting on NADH or NADPH
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
MT-ND4L
Uniprot ID:
P03901
Molecular weight:
10741.005
General function:
Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
MT-ND5
Uniprot ID:
P03915
Molecular weight:
67025.67
General function:
Involved in oxidoreductase activity, acting on NADH or NADPH
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
NDUFS3
Uniprot ID:
O75489
Molecular weight:
30241.245
General function:
Involved in oxidoreductase activity
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
NDUFV2
Uniprot ID:
P19404
Molecular weight:
27391.36
General function:
Involved in electron carrier activity
Specific function:
Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). Can act as a tumor suppressor.
Gene Name:
SDHA
Uniprot ID:
P31040
Molecular weight:
72690.975
General function:
Involved in electron carrier activity
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). May donate electrons to ubiquinone.
Gene Name:
NDUFS8
Uniprot ID:
O00217
Molecular weight:
23704.795
General function:
Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
MT-ND2
Uniprot ID:
P03891
Molecular weight:
38960.47
General function:
Involved in electron carrier activity
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). This is the largest subunit of complex I and it is a component of the iron-sulfur (IP) fragment of the enzyme. It may form part of the active site crevice where NADH is oxidized.
Gene Name:
NDUFS1
Uniprot ID:
P28331
Molecular weight:
67523.595

Only showing the first 10 proteins. There are 25 proteins in total.