1.0 2010-04-08 22:11:51 UTC 2019-11-26 03:11:36 UTC FDB015459 Glycyrrhizaisoflavone B Constituent of Glycyrrhiza species Glycyrrhizaisoflavone B is found in root vegetables. Glycyrrhizaisoflavone B C21H18O6 366.364 366.110338308 7-hydroxy-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-5-methoxy-4H-chromen-4-one 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxychromen-4-one 197304-07-7 COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=CC(O)=C2OC(C)(C)C=CC2=C1 InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3 SLQRKKBBWHNDFD-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. Pyranoisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranoisoflavonoid Pyranone Vinylogous ester logp 4.16 ALOGPS logs -4.57 ALOGPS solubility 9.94e-03 g/l ALOGPS melting_point Mp 197° logp 3.47 ChemAxon pka_strongest_acidic 6.54 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 7-hydroxy-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-5-methoxy-4H-chromen-4-one ChemAxon average_mass 366.364 ChemAxon mono_mass 366.110338308 ChemAxon smiles COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=CC(O)=C2OC(C)(C)C=CC2=C1 ChemAxon formula C21H18O6 ChemAxon inchi InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3 ChemAxon inchikey SLQRKKBBWHNDFD-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 100.56 ChemAxon polarizability 38.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60069 Specdb::MsMs 60070 Specdb::MsMs 60071 Specdb::MsMs 116328 Specdb::MsMs 116329 Specdb::MsMs 116330 Specdb::MsMs 2410372 Specdb::MsMs 2410373 Specdb::MsMs 2410374 Specdb::MsMs 2555970 Specdb::MsMs 2555971 Specdb::MsMs 2555972 Specdb::CMs 15742 Specdb::CMs 44901 Specdb::CMs 158424 HMDB36556 #<Reference:0x000055ce2df74940> Root vegetables Unknown generic