Coenzyme Q9
PubChem CID: 5280473
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| Compound Synonyms | Coenzyme Q9, 303-97-9, Ubiquinone 9, Ubiquinone-9, CoQ9, Ubiquinone 45, Ubiquinone-45, Ubiquinone Q9, Coenzyme Q(sub 9), Ubiquinone Q(sub 9), CoQ(sub 9), Coenzyme Q(9), UNII-MGW7TYF2DQ, coenzyme-Q9, ubiquinone(9), NSC 226993, BRN 1900081, CHEBI:18160, MGW7TYF2DQ, MFCD00056635, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione, NSC-226993, UBIQUINONE Q9 (STN), 4-08-00-03313 (Beilstein Handbook Reference), UBIDECARENONE IMPURITY D [EP IMPURITY], 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-, p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, 2-methyl-3-nonaprenyl-5,6-dimethoxy-1,4-benzoquinone, (all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione, 2,3-Dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]-1,4-benzoquinone, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione, UBIDECARENONE IMPURITY D (EP IMPURITY), COENZYMEQ9, Ubiquinone Q9, CoQ9, Ubiquinone 9, Ubiquinone9, Coenzyme Q9?, 2,3-Dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)-1,4-benzoquinone, 2,3-dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione, Coenzyme Q9 (Standard), 2,5-cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl)-, CHEMBL2252965, UUGXJSBPSRROMU-WJNLUYJISA-N, DTXSID601317880, LMPR02010004, NSC226993, AKOS027307694, Coenzyme Q9, >=96.0% (HPLC), CS-6359, FC20538, HY-101415R, AS-77794, p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)- (VAN), Q-9, 1ST158298, HY-101415, C01967, Q27102857, Ubidecarenone impurity D, European Pharmacopoeia (EP) Reference Standard, (all-E)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexad iene-1,4-dione, 2,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-, 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-(9CI), p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-(VAN), p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-(VAN) (8CI), p-Benzoquinone,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)- |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 58.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1680.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NZJ6 |
| Iupac Name | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 17.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Quinone and hydroquinone lipids |
| Molecular Formula | C54H82O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUGXJSBPSRROMU-WJNLUYJISA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -4.212 |
| Rotatable Bond Count | 28.0 |
| State | Solid |
| Logd | 8.296 |
| Synonyms | (all-e)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione, 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]-1,4-benzoquinone, CoQ9, Ubiquinone-45, Coenzyme Q(9), 2-Methyl-3-nonaprenyl-5,6-dimethoxy-1,4-benzoquinone, Coenzyme Q(sub 9), CoQ(sub 9), Ubiquinone 45, Ubiquinone 9, Ubiquinone Q(sub 9), Ubiquinone Q9, Ubiquinone-9, Ubiquinone 9, (Z,Z,Z,Z,Z,e,e,e)-isomer, Ubiquinone Q-9, Coenzyme Q9 |
| Compound Name | Coenzyme Q9 |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 794.621 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 794.621 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 795.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 8.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -13.9853252 |
| Inchi | InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+ |
| 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)/CC/C=C(\C)/CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 8.0 |
| Taxonomy Direct Parent | Ubiquinones |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Suberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pinus Pinaster (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all