Ubidecarenone
PubChem CID: 5281915
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| Compound Synonyms | Coenzyme Q10, ubidecarenone, 303-98-0, CoQ10, ubiquinone-10, Ubiquinone, Ubiquinone 50, Neuquinon, Ubiquinone 10, Emitolon, Heartcin, Inokiten, Justquinon, Neuquinone, Ubiquinone Q10, Udekinon, Terekol, Coenzyme Q-10, Ubidecarenona, Bio-Quinone Q10, Luvacor, Coenzyme Q 10, Coenzyme Q, Vitamin Q, coenzyme-Q10, Unispheres Q 10, co-enzyme Q10, Ubidecarenonum, PureSorb Q 40, Adelir, CoQ 10, Oristar ubq, Aqua Q10, CoQ(sub 10), Ubiquinone Q(sub 10), CoenzymeQ10, Co-enzyme Q-10, API-31510, Q 199, Ubidecarenonum [Latin], CCRIS 9016, NSC 140865, Co Q10, EINECS 206-147-9, ubiquinone(10), BPM-31510, all-trans-ubiquinone, Bpm31510, Ube-Q, NSC-140865, UNII-EJ27X76M46, Coenzyme q-199, DTXSID6046054, CHEBI:46245, EJ27X76M46, Ubidecarenone for system suitability, API 31510, NSC-140665, Q 10AA, 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-methylcyclohexa-2,5-diene-1,4-dione, DTXCID4026054, NSC140865, (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, 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-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, NCGC00159429-02, Ubidecarenonum (Latin), MFCD00042919, 2,5-Cyclohexadiene-1,4-dione, 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, 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-, (all-E)-, 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, 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, p-Benzoquinone, 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-, UBIDECARENONE (MART.), UBIDECARENONE [MART.], UBIDECARENONE (USP-RS), UBIDECARENONE [USP-RS], Bio-Quinon, Coenzyme Q(sub 10), Ubidecarenona [Spanish], UBIDECARENONE (EP MONOGRAPH), UBIDECARENONE [EP MONOGRAPH], 2-DECA(3-METHYLBUT-2-ENYLENE)-5,6-DIMETHOXY-3-METHYL-P-BENZOQUINONE, 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-methylcyclohexa-2,5-diene-1,4-dione, CAS-303-98-0, Q10, CoQ10, Ubiquinone-10, 2,3-dimethoxy-5-methyl-6-decaprenylbenzoquinone, UBIDECARENONE FOR SYSTEM SUITABILITY (USP-RS), UBIDECARENONE FOR SYSTEM SUITABILITY [USP-RS], unbiquinone, Armolipid, Kudesan, Mitocor, Akvion, Liquid-Q, Ubiquinone-Q10, Ubidecarenone [INN:BAN:JAN:NF], NCGC00095322-03, vitamin Q10, KanekaQ10, 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-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, Li-Q-Sorb, Q-Gel, Adelir (TN), Coenzymeq10,(S), Kaneka Q10, BP31510, CoQ10, Ubiquinone-10, Coenzyme Q10(CoQ10), Coenzyme Q10 (Standard), Aqua Q 10L10, UBIDECARENONE [DSC], UBIDECARENONE [INN], UBIDECARENONE [JAN], CoQ10 200mg, Co-Q10, Ubidecarenone (JP17/INN), Q-Gel 100, SCHEMBL19858, MLS000028745, UBIQUINONE 50 [MI], COENZYME Q10 [VANDF], UBIDECARENONE [WHO-DD], CHEMBL454801, SCHEMBL11901691, HY-N0111R, C01EB09, CO Q 10, EX-A973, Coenzyme Q10, analytical standard, GLXC-10860, HY-N0111, Tox21_111660, Tox21_113394, LMPR02010001, s2398, Coenzyme Q10, >=98% (HPLC), AKOS015897104, AKOS015951232, AC-4352, DB09270, FC20535, NCGC00159429-13, NCGC00159429-14, 2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-tetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methyl-[1,4]benzoquinone, AS-13341, LS-15517, Q 10, SMR000058651, C1971, CS-0007796, NS00014191, D01065, EN300-21680292, Q321285, BRD-K75043328-001-03-4, BRD-K75043328-001-04-2, BRD-K75043328-001-05-9, Ubidecarenone, European Pharmacopoeia (EP) Reference Standard, Ubidecarenone, United States Pharmacopeia (USP) Reference Standard, Ubidecarenone for system suitability, European Pharmacopoeia (EP) Reference Standard, Ubidecarenone for System Suitability, United States Pharmacopeia (USP) Reference Standard, (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, (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-cyclohe xadiene-1,4-dione, Bio-quinone Q10, CoQ10, 2,4-dione, 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-, 2,4-dione, 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-, (all-E)-, 2,5-Cyclohexadiene-1,4-dione, 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-tetracontadecaen-1-yl)-5,6-dimethoxy-3-methyl-, 2,5-Cyclohexadiene-1,4-dione, 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-, (all trans)-, 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-2,5-cyclohexadiene-1,4-dione, 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, (all trans)-, 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, 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-methylbenzo-1,4-quinone #, 206-147-9, p-Benzoquinone,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- |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 63.0 |
| Description | A group of related substances having n = 1-12, the main naturally occurring homologues have n = 6-10. Subscript number (Ubiquinone no.) indicates n. Occur in animal and microorganism mitochondria. Isolated from many sources. Participate in cellular electron transport. [CCD]. Coenzyme Q is found in many foods, some of which are cabbage, pepper (spice), barley, and white cabbage. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1840.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03886, O75306, P03901, P03915, O75489, P19404, P31040, O00217, P03891, P28331, Q16134, P03905, O75251, P03897, P49821, P03923, P21912, P02545, P25094, Q9Y6L6, Q9NPD5, P07602, n.a., P0DTD1 |
| Iupac Name | 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-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Target Id | NPT483 |
| Xlogp | 19.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Quinone and hydroquinone lipids |
| Molecular Formula | C59H90O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACTIUHUUMQJHFO-UPTCCGCDSA-N |
| Fcsp3 | 0.559322033898305 |
| Logs | -4.233 |
| Rotatable Bond Count | 31.0 |
| State | Solid |
| Logd | 8.885 |
| Synonyms | Mitoquinone, Ubiquinone, 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, 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, Adelir, all-trans-Ubiquinone, CoQ, CoQ10, Q, Q 199, Q10, Ubidecarenone, Ubiquinone 10, Ubiquinone 50, UBIQUINONE-10, CoQ 10, 2,3-Dimethoxy-5-methyl-6-decaprenylbenzoquinone, Bio-quinone Q10, Ubiquinone Q10, Q-Ter, CO-Enzyme Q10, (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, (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, 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, 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, 4-Ethyl-5-fluoropyrimidine, Aqua Q 10l10, Aqua Q10, Bio-quinon, Ensorb, Kaneka Q10, Kudesan, Li-Q-sorb, Liquid-Q, Neuquinon, Neuquinone, PureSorb Q 40, Q 10AA, Q-Gel, Q-Gel 100, Unbiquinone, Unispheres Q 10, Coenzyme Q10 |
| Compound Name | Ubidecarenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 862.684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 862.684 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 863.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -15.381462999999997 |
| 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+ |
| 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)/CC/C=C(\C)/CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Ubiquinones |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all