1.0 2010-04-08 22:12:22 UTC 2019-11-26 03:13:04 UTC FDB016340 Licochalcone B Constituent of the roots of Glycyrrhiza glabra (licorice). Licochalcone B is found in tea and herbs and spices. 3-(3,4-Dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one 3,4,4'-Trihydroxy-2-methoxychalcone Licochalcone B C16H14O5 286.2794 286.084123558 (2E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one licochalcone B 58749-23-8 COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC(O)=C1O InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+ DRDRYGIIYOPBBZ-XBXARRHUSA-N belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. Retrochalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Catechols Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Catechol Cinnamylphenol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Retrochalcone Styrene Chalcones and dihydrochalcones logp 3.17 ALOGPS logs -3.89 ALOGPS solubility 3.72e-02 g/l ALOGPS melting_point Mp 195-197° logp 2.82 ChemAxon pka_strongest_acidic 7.86 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 286.2794 ChemAxon mono_mass 286.084123558 ChemAxon smiles COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC(O)=C1O ChemAxon formula C16H14O5 ChemAxon inchi InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+ ChemAxon inchikey DRDRYGIIYOPBBZ-XBXARRHUSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 79.28 ChemAxon polarizability 29.52 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20956 Specdb::CMs 45312 Specdb::CMs 159575 Specdb::MsMs 60540 Specdb::MsMs 60541 Specdb::MsMs 60542 Specdb::MsMs 116883 Specdb::MsMs 116884 Specdb::MsMs 116885 Specdb::MsMs 452226 Specdb::MsMs 2252403 Specdb::MsMs 2254099 Specdb::MsMs 2256497 Specdb::MsMs 2258110 Specdb::MsMs 2258513 Specdb::MsMs 2260045 Specdb::MsMs 2821437 Specdb::MsMs 2821438 Specdb::MsMs 2821439 Specdb::MsMs 2857200 Specdb::MsMs 2857201 Specdb::MsMs 2857202 HMDB37320 #<Reference:0x000055ce32310c58> 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