1.0 2010-04-08 22:11:51 UTC 2019-11-26 03:11:36 UTC FDB015458 Glycyrrhizaisoflavone A Constituent of Glycyrrhiza species Glycyrrhizaisoflavone A is found in root vegetables. Glycyrrhizaisoflavone A C20H18O7 370.3527 370.10525293 3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-chromen-4-one 3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-5,7-dihydroxychromen-4-one 197304-06-6 CC1(C)OC2=C(CC1O)C=C(C=C2O)C1=COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C20H18O7/c1-20(2)16(24)5-10-3-9(4-14(23)19(10)27-20)12-8-26-15-7-11(21)6-13(22)17(15)18(12)25/h3-4,6-8,16,21-24H,5H2,1-2H3 ZCVDLJXIVVGRBZ-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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranoisoflavonoid Pyranone Secondary alcohol Vinylogous acid logp 3.03 ALOGPS logs -4.02 ALOGPS solubility 3.55e-02 g/l ALOGPS melting_point Mp 141° logp 3.03 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles CC1(C)OC2=C(CC1O)C=C(C=C2O)C1=COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c1-20(2)16(24)5-10-3-9(4-14(23)19(10)27-20)12-8-26-15-7-11(21)6-13(22)17(15)18(12)25/h3-4,6-8,16,21-24H,5H2,1-2H3 ChemAxon inchikey ZCVDLJXIVVGRBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 96.48 ChemAxon polarizability 37.95 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50226 Specdb::MsMs 50227 Specdb::MsMs 50228 Specdb::MsMs 115026 Specdb::MsMs 115027 Specdb::MsMs 115028 Specdb::MsMs 2831464 Specdb::MsMs 2831465 Specdb::MsMs 2831466 Specdb::MsMs 2847605 Specdb::MsMs 2847606 Specdb::MsMs 2847607 Specdb::CMs 9908 Specdb::CMs 44900 Specdb::CMs 150283 HMDB36555 #<Reference:0x000055ce31769080> Root vegetables Unknown generic