1.02010-04-08 22:11:40 UTC2019-11-26 03:11:12 UTCFDB015147LicofuranocoumarinConstituent of Glycyrrhiza uralensis (Chinese licorice). Licofuranocoumarin is found in herbs and spices.2,4'-Dihydroxy-5-methoxy-5''-(1-hydroxy-1-methylethyl)-4'',5''-dihydrofurano[2'',3'':7,6]-3-phenylcoumarinC21H20O7384.3793384.1209029946-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H,7H-furo[3,2-g]chromen-7-one6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H-furo[3,2-g]chromen-7-oneCOC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)OInChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3GAUFLNQQCSXBPK-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyisoflavonoids. These are organic compounds containing an isoflavonoid skeleton carrying one or more hydroxyl groups.HydroxyisoflavonoidsOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsHydroxyisoflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAnisolesBenzene and substituted derivativesCoumaransFuranoisoflavonoidsHeteroaromatic compoundsHydrocarbon derivativesIsoflav-3-enonesLactonesOrganic oxidesOxacyclic compoundsPsoralensPyranones and derivativesResorcinolsTertiary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCoumaranCoumarinEtherFuranocoumarinFuranoisoflavonoid skeletonHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflav-3-enone skeletonLactoneLinear furanocoumarinMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPsoralenPyranPyranoneResorcinolTertiary alcohollogp2.71logs-4.20solubility2.42e-02 g/lmelting_pointMp 242°logp2.64pka_strongest_acidic8.49pka_strongest_basic-3.1iupac6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H,7H-furo[3,2-g]chromen-7-oneaverage_mass384.3793mono_mass384.120902994smilesCOC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)OformulaC21H20O7inchiInChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3inchikeyGAUFLNQQCSXBPK-UHFFFAOYSA-Npolar_surface_area105.45refractivity101.22polarizability39.91rotatable_bond_count3acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::CMs10772Specdb::CMs44786Specdb::CMs148231Specdb::MsMs102834Specdb::MsMs102835Specdb::MsMs102836Specdb::MsMs168717Specdb::MsMs168718Specdb::MsMs168719Specdb::MsMs2818656Specdb::MsMs2818657Specdb::MsMs2818658Specdb::MsMs2890219Specdb::MsMs2890220Specdb::MsMs2890221HMDB36281#<Reference:0x0000555675d55770>Herbs and SpicesUnknowngeneric