Coenzyme Q8
PubChem CID: 5283546
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| Compound Synonyms | Coenzyme Q8, Ubiquinone 8, ubiquinone-8, 2394-68-5, COQ8, coenzyme-Q8, ubiquinone(8), Ubiquinone-40, UNII-CQA993F7P8, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione, CQA993F7P8, CHEBI:61683, UBIDECARENONE IMPURITY C [EP IMPURITY], 2,3-Dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-, (all-E)-, Ubiquinone Q8, Ubiquinone 40, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]-1,4-benzoquinone, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione, UBIDECARENONE IMPURITY C (EP IMPURITY), 2,3-dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)-1,4-benzoquinone, 2,3-dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione, starbld0006554, DTXSID501317994, HY-N9680, LMPR02010005, CS-0202800, NS00122161, C17569, Q27131283, 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-, 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 53.0 |
| Description | Ubiquinone-8, also known as coenzyme q8 or coq8, is a member of the class of compounds known as ubiquinones. Ubiquinones 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, ubiquinone-8 is considered to be a quinone lipid molecule. Ubiquinone-8 is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ubiquinone-8 can be found in a number of food items such as kumquat, celery leaves, hazelnut, and jicama, which makes ubiquinone-8 a potential biomarker for the consumption of these food products. Ubiquinone-8 may be a unique E.coli metabolite. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1520.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 15.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Quinone and hydroquinone lipids |
| Molecular Formula | C49H74O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICFIZJQGJAJRSU-SGHXUWJISA-N |
| Fcsp3 | 0.5510204081632653 |
| Logs | -4.269 |
| Rotatable Bond Count | 25.0 |
| Logd | 7.707 |
| Synonyms | Coenzyme Q8, Coenzyme-Q8, COQ8, Ubiquinone 8, Ubiquinone(8), Ubiquinone 40, Ubiquinone Q8 |
| Compound Name | Coenzyme Q8 |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 726.559 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 726.559 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 727.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 7.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -12.5891874 |
| Inchi | InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ |
| Smiles | CC1=C(C(=O)C(=C(C1=O)OC)OC)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)/CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 7.0 |
| Taxonomy Direct Parent | Ubiquinones |
- 1. Outgoing r'ship
FOUND_INto/from Marchantia Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients