1.0 2010-04-08 22:11:03 UTC 2025-11-19 00:42:54 UTC FDB014045 Licoagrochalcone D Isolated from hairy root cultures of Glycyrrhiza glabra. Licoagrochalcone D is found in alcoholic beverages and herbs and spices. 5''-(2-Hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone C21H22O5 354.3964 354.146723814 (2E)-1-(4-hydroxyphenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one licoagrochalcone D COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC2=C1CC(O2)C(C)(C)O InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+ FMKHMNBODOXQLQ-UXBLZVDNSA-N belongs to the class of organic compounds known as furanochalcones. Furanochalcones are compounds containing a furan ring fused to either ring of a chalcone moiety. Furanochalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Coumarans Enones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Retrochalcones Styrenes Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alcohol Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzoyl Coumaran Enone Ether Furanochalcone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Retrochalcone Styrene Tertiary alcohol Chalcones and dihydrochalcones logp 3.48 ALOGPS logs -4.73 ALOGPS solubility 6.57e-03 g/l ALOGPS logp 3.38 ChemAxon pka_strongest_acidic 7.87 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2E)-1-(4-hydroxyphenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=CC2=C1CC(O2)C(C)(C)O ChemAxon formula C21H22O5 ChemAxon inchi InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+ ChemAxon inchikey FMKHMNBODOXQLQ-UXBLZVDNSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 100.11 ChemAxon polarizability 38.96 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17253 Specdb::CMs 44359 Specdb::CMs 151820 Specdb::MsMs 91008 Specdb::MsMs 91009 Specdb::MsMs 91010 Specdb::MsMs 154299 Specdb::MsMs 154300 Specdb::MsMs 154301 Specdb::MsMs 2677158 Specdb::MsMs 2677159 Specdb::MsMs 2677160 Specdb::MsMs 3028553 Specdb::MsMs 3028554 Specdb::MsMs 3028555 HMDB35371 #<Reference:0x000055ce32b96418> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic