1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:12 UTC FDB018475 Oxyhumulinic acid Oxyhumulinic acid is a secondary product present in beer derived from Humulone. Therefore, it is found in alcoholic beverages. 3,4,5-Trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one, 9CI C15H22O5 282.3322 282.146723814 3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one 3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one 469-30-7 CC(C)CC(=O)C1=C(O)C(O)C(O)(CC=C(C)C)C1=O InChI=1S/C15H22O5/c1-8(2)5-6-15(20)13(18)11(12(17)14(15)19)10(16)7-9(3)4/h5,9,14,17,19-20H,6-7H2,1-4H3 QSHUUGSBRMSXKV-UHFFFAOYSA-N belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups. Acyloins Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds 1,2-diols Cyclic ketones Enols Hydrocarbon derivatives Organic oxides Secondary alcohols Tertiary alcohols Vinylogous acids 1,2-diol Acyloin Alcohol Aliphatic homomonocyclic compound Cyclic ketone Enol Hydrocarbon derivative Ketone Organic oxide Polyol Secondary alcohol Tertiary alcohol Vinylogous acid logp 1.05 ALOGPS logs -2.05 ALOGPS solubility 2.51e+00 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 1.07 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one ChemAxon average_mass 282.3322 ChemAxon mono_mass 282.146723814 ChemAxon smiles CC(C)CC(=O)C1=C(O)C(O)C(O)(CC=C(C)C)C1=O ChemAxon formula C15H22O5 ChemAxon inchi InChI=1S/C15H22O5/c1-8(2)5-6-15(20)13(18)11(12(17)14(15)19)10(16)7-9(3)4/h5,9,14,17,19-20H,6-7H2,1-4H3 ChemAxon inchikey QSHUUGSBRMSXKV-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 76.57 ChemAxon polarizability 30.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14967 Specdb::CMs 46190 Specdb::CMs 146618 Specdb::MsMs 11225 Specdb::MsMs 11226 Specdb::MsMs 11227 Specdb::MsMs 17897 Specdb::MsMs 17898 Specdb::MsMs 17899 Specdb::MsMs 2810060 Specdb::MsMs 2810061 Specdb::MsMs 2810062 Specdb::MsMs 2899569 Specdb::MsMs 2899570 Specdb::MsMs 2899571 HMDB38989 #<Reference:0x000055ce32935840> Alcoholic beverages Unknown generic