1.0 2010-04-08 22:11:40 UTC 2019-11-26 03:11:12 UTC FDB015147 Licofuranocoumarin Constituent 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-phenylcoumarin C21H20O7 384.3793 384.120902994 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H,7H-furo[3,2-g]chromen-7-one 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H-furo[3,2-g]chromen-7-one COC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)O InChI=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,8H2,1-3H3 GAUFLNQQCSXBPK-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. Hydroxyisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Hydroxyisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Coumarans Furanoisoflavonoids Heteroaromatic compounds Hydrocarbon derivatives Isoflav-3-enones Lactones Organic oxides Oxacyclic compounds Psoralens Pyranones and derivatives Resorcinols Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Coumarin Ether Furanocoumarin Furanoisoflavonoid skeleton Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflav-3-enone skeleton Lactone Linear furanocoumarin Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Psoralen Pyran Pyranone Resorcinol Tertiary alcohol logp 2.71 ALOGPS logs -4.20 ALOGPS solubility 2.42e-02 g/l ALOGPS melting_point Mp 242° logp 2.64 ChemAxon pka_strongest_acidic 8.49 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles COC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)O ChemAxon formula C21H20O7 ChemAxon inchi InChI=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,8H2,1-3H3 ChemAxon inchikey GAUFLNQQCSXBPK-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 101.22 ChemAxon polarizability 39.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10772 Specdb::CMs 44786 Specdb::CMs 148231 Specdb::MsMs 102834 Specdb::MsMs 102835 Specdb::MsMs 102836 Specdb::MsMs 168717 Specdb::MsMs 168718 Specdb::MsMs 168719 Specdb::MsMs 2818656 Specdb::MsMs 2818657 Specdb::MsMs 2818658 Specdb::MsMs 2890219 Specdb::MsMs 2890220 Specdb::MsMs 2890221 HMDB36281 #<Reference:0x000055ce329bd4e8> Herbs and Spices Unknown generic