1.02010-04-08 22:13:38 UTC2019-11-26 03:16:01 UTCFDB018321Gancaonin QIsolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin Q is found in herbs and spices.5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CIGancaonin QC25H26O5406.4709406.1780239425,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-onegancaonin Q134958-52-4CC(C)=CCC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2OInChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3WGNIVAMNAWBYRO-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 6-position.6-prenylated flavonesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-prenylated flavones4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsBenzene and substituted derivativesChromonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-prenylated flavone4'-hydroxyflavonoid5-hydroxyflavonoid6-prenylated flavone7-hydroxyflavonoidAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoneVinylogous acidFlavones and Flavonolslogp5.06logs-5.16solubility2.83e-03 g/lmelting_pointMp 212-214°logp6.16pka_strongest_acidic6.45pka_strongest_basic-5.2iupac5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneaverage_mass406.4709mono_mass406.178023942smilesCC(C)=CCC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2OformulaC25H26O5inchiInChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3inchikeyWGNIVAMNAWBYRO-UHFFFAOYSA-Npolar_surface_area86.99refractivity121.4polarizability46.13rotatable_bond_count5acceptor_count5donor_count3physiological_charge-1formal_charge0Specdb::CMs12726Specdb::CMs46119Specdb::CMs173559Specdb::MsMs108525Specdb::MsMs108526Specdb::MsMs108527Specdb::MsMs175767Specdb::MsMs175768Specdb::MsMs175769Specdb::MsMs2313137Specdb::MsMs2313138Specdb::MsMs2313139Specdb::MsMs2652104Specdb::MsMs2652105Specdb::MsMs2652106HMDB38875#<Reference:0x00005556739b4d98>Herbs and SpicesUnknowngeneric