1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:27 UTC FDB014047 Licoagroaurone Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroaurone is found in tea and herbs and spices. Licoagroaurone C20H18O5 338.3539 338.115423686 (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-3-one (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-one CC(C)=CCC1=C(O)C=CC2=C1O\C(=C/C1=CC(O)=C(O)C=C1)C2=O InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10- GKIZWUHTCYQZHL-ZDLGFXPLSA-N belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus). Aurone flavonoids Organic compounds Phenylpropanoids and polyketides Aurone flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Benzene and substituted derivatives Benzofurans Catechols Coumarans Hydrocarbon derivatives Organic oxides Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Aryl ketone Aurone Benzenoid Benzofuran Catechol Coumaran Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol logp 4.05 ALOGPS logs -4.57 ALOGPS solubility 9.20e-03 g/l ALOGPS logp 4.02 ChemAxon pka_strongest_acidic 7.44 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-3-one ChemAxon average_mass 338.3539 ChemAxon mono_mass 338.115423686 ChemAxon smiles CC(C)=CCC1=C(O)C=CC2=C1O\C(=C/C1=CC(O)=C(O)C=C1)C2=O ChemAxon formula C20H18O5 ChemAxon inchi InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10- ChemAxon inchikey GKIZWUHTCYQZHL-ZDLGFXPLSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 97.23 ChemAxon polarizability 36.01 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10147 Specdb::CMs 44360 Specdb::CMs 170161 Specdb::MsMs 87492 Specdb::MsMs 87493 Specdb::MsMs 87494 Specdb::MsMs 150012 Specdb::MsMs 150013 Specdb::MsMs 150014 Specdb::MsMs 2842998 Specdb::MsMs 2842999 Specdb::MsMs 2843000 Specdb::MsMs 2865354 Specdb::MsMs 2865355 Specdb::MsMs 2865356 HMDB35373 #<Reference:0x000055ce3225b4c0> 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