1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:36 UTC FDB014165 Isolicopyranocoumarin Constituent of Glycyrrhiza species Isolicopyranocoumarin is found in herbs and spices. Isolicopyranocoumarin C21H20O7 384.3793 384.120902994 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8,8-dimethyl-6H,7H-pyrano[3,2-g]chromen-2-one 197303-94-9 COC1=C2C=C(C(=O)OC2=CC2=C1CC(O)C(C)(C)O2)C1=C(O)C=C(O)C=C1 InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3 JHGBGRLHQJNGPN-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Isoflav-3-enones Lactones Linear pyranocoumarins Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Resorcinols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflav-3-enone skeleton Lactone Linear pyranocoumarin Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranocoumarin Pyranone Resorcinol Secondary alcohol logp 2.91 ALOGPS logs -4.18 ALOGPS solubility 2.52e-02 g/l ALOGPS melting_point Mp 251° logp 2.64 ChemAxon pka_strongest_acidic 8.49 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles COC1=C2C=C(C(=O)OC2=CC2=C1CC(O)C(C)(C)O2)C1=C(O)C=C(O)C=C1 ChemAxon formula C21H20O7 ChemAxon inchi InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3 ChemAxon inchikey JHGBGRLHQJNGPN-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 101.22 ChemAxon polarizability 39.87 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19941 Specdb::CMs 44407 Specdb::CMs 174351 Specdb::MsMs 52746 Specdb::MsMs 52747 Specdb::MsMs 52748 Specdb::MsMs 126750 Specdb::MsMs 126751 Specdb::MsMs 126752 Specdb::MsMs 2782819 Specdb::MsMs 2782820 Specdb::MsMs 2782821 Specdb::MsMs 2926531 Specdb::MsMs 2926532 Specdb::MsMs 2926533 HMDB35479 #<Reference:0x000055ce3331e848> Herbs and Spices Unknown generic