1.02010-04-08 22:10:05 UTC2019-11-26 03:06:32 UTCFDB012291(S)-4',5,7-Trihydroxy-8-prenylflavanone(s)-4',5,7-trihydroxy-8-prenylflavanone is a member of the class of compounds known as 8-prenylated flavanones. 8-prenylated flavanones are flavanones that features a C5-isoprenoid substituent at the 8-position. Thus, (s)-4',5,7-trihydroxy-8-prenylflavanone is considered to be a flavonoid lipid molecule (s)-4',5,7-trihydroxy-8-prenylflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-4',5,7-trihydroxy-8-prenylflavanone can be found in beer, which makes (s)-4',5,7-trihydroxy-8-prenylflavanone a potential biomarker for the consumption of this food product. Sophoraflavanone BC20H20O5340.375340.1310737445,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-onesophoraflavanone B53846-50-7CC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3LPEPZZAVFJPLNZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.8-prenylated flavanonesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavansAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAryl alkyl ketonesBenzene and substituted derivativesChromonesFlavanonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoid8-prenylated flavanoneAlkyl aryl etherAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranChromaneChromoneEtherFlavanoneHydrocarbon derivativeHydroxyflavonoidKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolVinylogous acidFlavanoneslogp3.23logs-4.34solubility1.55e-02 g/lmelting_pointMp 202-204° (195.5-196°)logp4.56pka_strongest_acidic7.69pka_strongest_basic-5iupac5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-oneaverage_mass340.375mono_mass340.131073744smilesCC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1formulaC20H20O5inchiInChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3inchikeyLPEPZZAVFJPLNZ-UHFFFAOYSA-Npolar_surface_area86.99refractivity95.53polarizability36.38rotatable_bond_count3acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::MsMs93405Specdb::MsMs93406Specdb::MsMs93407Specdb::MsMs157164Specdb::MsMs157165Specdb::MsMs157166Specdb::MsMs2236220Specdb::MsMs2237178Specdb::MsMs2238290Specdb::MsMs2239272Specdb::MsMs2240439Specdb::MsMs2241278Specdb::MsMs3410954Specdb::MsMs3410955Specdb::MsMs3410956Specdb::MsMs3410957Specdb::MsMs3410958Specdb::MsMs3410959Specdb::CMs91078Specdb::CMs126341Specdb::CMs831841Specdb::CMs831842Specdb::CMs831843Specdb::CMs831844Specdb::CMs831845Specdb::CMs831846Specdb::CMs831847Specdb::CMs831848Specdb::CMs831849Specdb::CMs831850Specdb::CMs831851Specdb::CMs831852Specdb::CMs831853Specdb::CMs831854BeerType 2specific0.0040880.0105666670.0003mg/100 g