1.0 2010-04-08 22:11:09 UTC 2019-11-26 03:09:40 UTC FDB014218 Glycyrrhizaisoflavone C Constituent of licorice (Glycyrrhiza species). Glycyrrhizaisoflavone C is found in tea and herbs and spices. C21H20O6 368.3799 368.125988372 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4H-chromen-4-one 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)chromen-4-one 161014-35-3 COC1=C(C(O)=CC2=C1CCC(C)(C)O2)C1=COC2=C(C=CC(O)=C2)C1=O InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3 IEJGJZLXEWWZHI-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole 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 logp 4.21 ALOGPS logs -4.33 ALOGPS solubility 1.71e-02 g/l ALOGPS melting_point Mp 159° logp 3.6 ChemAxon pka_strongest_acidic 6.47 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4H-chromen-4-one ChemAxon average_mass 368.3799 ChemAxon mono_mass 368.125988372 ChemAxon smiles COC1=C(C(O)=CC2=C1CCC(C)(C)O2)C1=COC2=C(C=CC(O)=C2)C1=O ChemAxon formula C21H20O6 ChemAxon inchi InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3 ChemAxon inchikey IEJGJZLXEWWZHI-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 99.6 ChemAxon polarizability 38.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23026 Specdb::CMs 44429 Specdb::CMs 133375 Specdb::CMs 141109 Specdb::MsMs 63966 Specdb::MsMs 63967 Specdb::MsMs 63968 Specdb::MsMs 121008 Specdb::MsMs 121009 Specdb::MsMs 121010 Specdb::MsMs 2702934 Specdb::MsMs 2702935 Specdb::MsMs 2702936 Specdb::MsMs 3002413 Specdb::MsMs 3002414 Specdb::MsMs 3002415 HMDB35526 #<Reference:0x000055ce3073b550> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442