1.02010-04-08 22:10:42 UTC2019-11-26 03:08:25 UTCFDB013439Xanthohumol BConstituent of hops (Humulus lupulus). Xanthohumol B is found in alcoholic beverages and cereals and cereal products.6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalconeDehydrocycloxanthohumol hydrateXanthohumol BC21H22O6370.3958370.141638436(2E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-onexanthohumol B189308-10-9COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2CC(O)C(C)(C)OC2=C1InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+GUQGMEWOCKDLDE-RMKNXTFCSA-N belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.2'-HydroxychalconesOrganic compoundsPhenylpropanoids and polyketidesLinear 1,3-diarylpropanoidsChalcones and dihydrochalconesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2,2-dimethyl-1-benzopyransAcryloyl compoundsAlkyl aryl ethersAnisolesAryl ketonesEnonesHydrocarbon derivativesHydroxycinnamic acids and derivativesOrganic oxidesOxacyclic compoundsSecondary alcoholsStyrenesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2'-hydroxychalcone2,2-dimethyl-1-benzopyranAcryloyl-groupAlcoholAlkyl aryl etherAlpha,beta-unsaturated ketoneAnisoleAromatic heteropolycyclic compoundAryl ketoneBenzenoidBenzopyranChromaneEnoneEtherHydrocarbon derivativeHydroxycinnamic acid or derivativesKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolSecondary alcoholStyreneVinylogous acidChalcones and dihydrochalconesaromatic etherchalconespolyphenollogp3.21logs-4.45solubility1.32e-02 g/llogp3.72pka_strongest_acidic8.27pka_strongest_basic-3.3iupac(2E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-oneaverage_mass370.3958mono_mass370.141638436smilesCOC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2CC(O)C(C)(C)OC2=C1formulaC21H22O6inchiInChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+inchikeyGUQGMEWOCKDLDE-RMKNXTFCSA-Npolar_surface_area96.22refractivity102.09polarizability39.71rotatable_bond_count4acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::CMs18678Specdb::CMs44065Specdb::CMs162048Specdb::MsMs90396Specdb::MsMs90397Specdb::MsMs90398Specdb::MsMs153540Specdb::MsMs153541Specdb::MsMs153542Specdb::MsMs2403965Specdb::MsMs2403966Specdb::MsMs2403967Specdb::MsMs2534202Specdb::MsMs2534203Specdb::MsMs2534204HMDB34867#<Reference:0x000055567639e370>Alcoholic beveragesUnknowngenericBreakfast cerealType 2specificCereals and cereal productsUnknowngeneric