1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:04 UTC FDB010755 5-Ethoxysorgoleone 358 Constituent of Sorghum bicolor (sorghum). 5-Ethoxysorgoleone 358 is found in cereals and cereal products. 5-Ethoxysorgoleone 358 C23H32O4 372.4978 372.230059512 5-ethoxy-2-hydroxy-3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione 5-ethoxy-2-hydroxy-3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione 210708-13-7 CCOC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6+,10-9+ TZHMUUDTNYTFMW-AVQMFFATSA-N belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. P-benzoquinones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Enols Hydrocarbon derivatives Organic oxides Vinylogous acids Vinylogous esters Aliphatic homomonocyclic compound Enol Hydrocarbon derivative Organic oxide P-benzoquinone Vinylogous acid Vinylogous ester logp 5.53 ALOGPS logs -6.22 ALOGPS solubility 2.24e-04 g/l ALOGPS logp 6.05 ChemAxon pka_strongest_acidic 8.27 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 5-ethoxy-2-hydroxy-3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 372.4978 ChemAxon mono_mass 372.230059512 ChemAxon smiles CCOC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O ChemAxon formula C23H32O4 ChemAxon inchi InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6+,10-9+ ChemAxon inchikey TZHMUUDTNYTFMW-AVQMFFATSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 115.51 ChemAxon polarizability 43.28 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12965 Specdb::CMs 42961 Specdb::CMs 133682 Specdb::CMs 141416 Specdb::MsMs 104421 Specdb::MsMs 104422 Specdb::MsMs 104423 Specdb::MsMs 170700 Specdb::MsMs 170701 Specdb::MsMs 170702 Specdb::MsMs 2340735 Specdb::MsMs 2340736 Specdb::MsMs 2340737 Specdb::MsMs 2625629 Specdb::MsMs 2625630 Specdb::MsMs 2625631 HMDB32784 #<Reference:0x000055ce2f4e6f30> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic