1.0 2010-04-08 22:09:25 UTC 2019-11-26 03:04:28 UTC FDB011019 Licoagrodione Constituent of hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrodione is found in tea and herbs and spices. 1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-(2-hydroxy-4-methoxyphenyl)ethanedione C20H20O6 356.3692 356.125988372 1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione 1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione COC1=CC(O)=C(C=C1)C(=O)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C=C1 InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3 KAQKSYKCXCTGOG-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alpha-diketones Anisoles Aryl ketones Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Resorcinols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Alpha-diketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Resorcinol Stilbene Vinylogous acid logp 3.57 ALOGPS logs -4.18 ALOGPS solubility 2.33e-02 g/l ALOGPS logp 5.2 ChemAxon pka_strongest_acidic 7.11 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione ChemAxon average_mass 356.3692 ChemAxon mono_mass 356.125988372 ChemAxon smiles COC1=CC(O)=C(C=C1)C(=O)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C=C1 ChemAxon formula C20H20O6 ChemAxon inchi InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3 ChemAxon inchikey KAQKSYKCXCTGOG-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 98.72 ChemAxon polarizability 37.03 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9557 Specdb::CMs 43064 Specdb::CMs 136705 Specdb::CMs 144439 Specdb::MsMs 10400 Specdb::MsMs 10401 Specdb::MsMs 10402 Specdb::MsMs 17072 Specdb::MsMs 17073 Specdb::MsMs 17074 Specdb::MsMs 2269633 Specdb::MsMs 2269634 Specdb::MsMs 2269635 Specdb::MsMs 3071988 Specdb::MsMs 3071989 Specdb::MsMs 3071990 HMDB33027 #<Reference:0x000055ce31d0adb8> 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