1.0 2010-04-08 22:05:10 UTC 2025-11-18 22:33:50 UTC FDB001934 Plastoquinone 9 Constituent of alfalfa and other plants. Plastoquinone 9 is found in barley, pulses, and anise. (Plastoquinone) Koflerquinone Phastoquinone 9 Plastoquinone 45 Plastoquinone 9 Plastoquinone A Plastoquinone-9 Q 254 Sulfisoxazole diolamine C53H80O2 749.2011 748.615831804 2,3-dimethyl-5-[(2Z,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-dimethyl-5-[(2Z,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 4299-57-4 CC(C)=CCC\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/CC1=CC(=O)C(C)=C(C)C1=O InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37- FKUYMLZIRPABFK-RLAZMVNUSA-N belongs to the class of organic compounds known as polyprenylbenzoquinones. Polyprenylbenzoquinones are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Polyprenylbenzoquinones Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides P-benzoquinones Polyterpenoids Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Polyprenylbenzoquinone Polyterpenoid Quinone logp 9.80 ALOGPS logs -6.49 ALOGPS solubility 2.42e-04 g/l ALOGPS melting_point Mp 48-49° logp 16.7 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 2,3-dimethyl-5-[(2Z,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 ChemAxon average_mass 749.2011 ChemAxon mono_mass 748.615831804 ChemAxon smiles CC(C)=CCC\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/CC1=CC(=O)C(C)=C(C)C1=O ChemAxon formula C53H80O2 ChemAxon inchi InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37- ChemAxon inchikey FKUYMLZIRPABFK-RLAZMVNUSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 253.72 ChemAxon polarizability 97.44 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 71105 Specdb::MsMs 91647 Specdb::MsMs 91648 Specdb::MsMs 91649 Specdb::MsMs 155088 Specdb::MsMs 155089 Specdb::MsMs 155090 Specdb::MsMs 2765807 Specdb::MsMs 2765808 Specdb::MsMs 2765809 Specdb::MsMs 2943043 Specdb::MsMs 2943044 Specdb::MsMs 2943045 HMDB30130 Anise Type 1 specific Pimpinella anisum 271192 Barley Type 1 specific Hordeum vulgare 4513 Pulses Unknown generic