1.0 2010-04-08 22:15:01 UTC 2018-05-29 01:46:34 UTC FDB020439 Myrsinone Constituent of Myrsine africana (cape myrtle) 2,3-Dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione, 9CI Myrsinone C17H26O4 294.3859 294.18310932 2,3-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione 2,3-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione 145040-57-9 CCCCCCCCCCCC1=CC(=O)C(O)=C(O)C1=O InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(20)17(21)15(13)19/h12,20-21H,2-11H2,1H3 JPFXYNDBKFIYLX-UHFFFAOYSA-N 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). Ubiquinones Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aliphatic homomonocyclic compounds Enediols Hydrocarbon derivatives Organic oxides P-benzoquinones Vinylogous acids Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Enediol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Quinone Ubiquinone skeleton Vinylogous acid logp 4.28 ALOGPS logs -4.88 ALOGPS solubility 3.85e-03 g/l ALOGPS melting_point Mp 120-122° logp 4.83 ChemAxon pka_strongest_acidic 8.01 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,3-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 294.3859 ChemAxon mono_mass 294.18310932 ChemAxon smiles CCCCCCCCCCCC1=CC(=O)C(O)=C(O)C1=O ChemAxon formula C17H26O4 ChemAxon inchi InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(20)17(21)15(13)19/h12,20-21H,2-11H2,1H3 ChemAxon inchikey JPFXYNDBKFIYLX-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 85.33 ChemAxon polarizability 34.58 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25348 Specdb::CMs 46882 Specdb::CMs 163083 Specdb::MsMs 322111 Specdb::MsMs 322112 Specdb::MsMs 322113 Specdb::MsMs 369943 Specdb::MsMs 369944 Specdb::MsMs 369945 Specdb::MsMs 2734289 Specdb::MsMs 2734290 Specdb::MsMs 2734291 Specdb::MsMs 2972103 Specdb::MsMs 2972104 Specdb::MsMs 2972105 HMDB40646 #<Reference:0x000055ce30d5e2c0>