1.0 2010-04-08 22:10:45 UTC 2019-11-26 03:08:30 UTC FDB013502 Xanthohumol E Constituent of Humulus lupulus (hops). Xanthohumol E is found in alcoholic beverages. C25H26O5 406.4709 406.178023942 (2E)-1-[5,7-dihydroxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-2H-chromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one xanthohumol E CC(C)=CCC1=C(O)C2=C(OC(C)(C)C=C2)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O InChI=1S/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3/b12-8+ KRZGSPKDWYNTHE-XYOKQWHBSA-N belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-position. 3-prenylated chalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2'-Hydroxychalcones 2,2-dimethyl-1-benzopyrans Acryloyl compounds Alkyl aryl ethers Aryl ketones Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Organic oxides Oxacyclic compounds Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2'-hydroxychalcone 2,2-dimethyl-1-benzopyran 3-prenylated chalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzopyran Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Styrene Vinylogous acid Chalcones and dihydrochalcones logp 4.51 ALOGPS logs -4.73 ALOGPS solubility 7.60e-03 g/l ALOGPS logp 6.26 ChemAxon pka_strongest_acidic 7.64 ChemAxon pka_strongest_basic -5 ChemAxon iupac (2E)-1-[5,7-dihydroxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-2H-chromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 406.4709 ChemAxon mono_mass 406.178023942 ChemAxon smiles CC(C)=CCC1=C(O)C2=C(OC(C)(C)C=C2)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O ChemAxon formula C25H26O5 ChemAxon inchi InChI=1S/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3/b12-8+ ChemAxon inchikey KRZGSPKDWYNTHE-XYOKQWHBSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 121.46 ChemAxon polarizability 45.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21681 Specdb::CMs 44084 Specdb::CMs 169807 Specdb::MsMs 43767 Specdb::MsMs 43768 Specdb::MsMs 43769 Specdb::MsMs 157152 Specdb::MsMs 157153 Specdb::MsMs 157154 Specdb::MsMs 2671224 Specdb::MsMs 2671225 Specdb::MsMs 2671226 Specdb::MsMs 3011043 Specdb::MsMs 3011044 Specdb::MsMs 3011045 HMDB34917 #<Reference:0x000055ce30587c18> Alcoholic beverages Unknown generic