1.0 2010-04-08 22:11:54 UTC 2019-11-26 03:11:47 UTC FDB015541 4-Deoxyhumulone Isolated from hops (Humulus lupulus). 4-Deoxyhumulone is found in alcoholic beverages. 3-Methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-butanone, 9CI 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone 3,5-Bis(3-methyl-2-butenyl)phloroisovalerophenone 4-Deoxy-humulone Deoxyhumulone Humulone, 4-deoxy- C21H30O4 346.4605 346.214409448 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one 4374-93-0 CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3 NQYBQBZOHCACCR-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Acylphloroglucinols and derivatives Aryl alkyl ketones Benzoyl derivatives Butyrophenones Hydrocarbon derivatives Organic oxides Polyols Vinylogous acids Acylphloroglucinol derivative Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenetriol Benzenoid Benzoyl Butyrophenone Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Phloroglucinol derivative Polyol Vinylogous acid logp 4.24 ALOGPS logs -3.84 ALOGPS solubility 5.04e-02 g/l ALOGPS melting_point Mp 83° logp 6.81 ChemAxon pka_strongest_acidic 7.64 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one ChemAxon average_mass 346.4605 ChemAxon mono_mass 346.214409448 ChemAxon smiles CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O ChemAxon formula C21H30O4 ChemAxon inchi InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3 ChemAxon inchikey NQYBQBZOHCACCR-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 104.67 ChemAxon polarizability 40.27 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5820 Specdb::CMs 44936 Specdb::CMs 147086 Specdb::MsMs 57228 Specdb::MsMs 57229 Specdb::MsMs 57230 Specdb::MsMs 112836 Specdb::MsMs 112837 Specdb::MsMs 112838 Specdb::MsMs 2374452 Specdb::MsMs 2374453 Specdb::MsMs 2374454 Specdb::MsMs 2560452 Specdb::MsMs 2560453 Specdb::MsMs 2560454 HMDB36624 #<Reference:0x000055ce31c93650> Alcoholic beverages Unknown generic