1.0 2016-05-25 20:55:24 UTC 2026-04-15 16:40:43 UTC Licochalcone A SmallMolecule Licochalcone A is an organic compound with the formula C21H22O4 and an average molecular weight of 338.40 g/mol. Licochalcone A belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. This compound is found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of vinegar. Regarding its biological activity, Licochalcone A is recorded as an inhibitor of the protein target tyrosine-protein phosphatase non-receptor type 1 (PTPN1). C21H22O4 338.397 338.151809192 (2Z)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one (2Z)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one 58749-22-7 COC1=C(\C=C/C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8- KAZSKMJFUPEHHW-FLIBITNWSA-N Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Retrochalcones 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Phenylpropanes Styrenes 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl 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 Phenylpropane Retrochalcone Styrene Aromatic homomonocyclic compounds Detected and Not Quantified logp 4.74 ALOGPS logs -4.60 ALOGPS solubility 8.53e-03 g/l ALOGPS logp 4.81 ChemAxon pka_strongest_acidic 7.83 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2Z)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 338.397 ChemAxon mono_mass 338.151809192 ChemAxon smiles COC1=C(\C=C/C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C ChemAxon formula C21H22O4 ChemAxon inchi InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8- ChemAxon inchikey KAZSKMJFUPEHHW-FLIBITNWSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 100.61 ChemAxon polarizability 36.94 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72269c9ec0> DB19281 5318998 4477422 BE0000623