Compound: Liquiritin
SMILES: O=C1c2c(O[C@@H](C1)c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)cc3)cc(O)cc2
InChIKey: DEMKZLAVQYISIA-ZRWXNEIDSA-N
Synonyms: Liquiritin, 551-15-5, Liquiritoside, 7-Hydroxyflavanone 4'-O-glucoside, T0O79T74CD, CHEBI:80845, 4',7-Dihydroxyflavanone 4'-(beta-D-glucopyranoside), (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one, DTXSID40203619, 4'-O-beta-D-glucopyranosyl-7-hydroxyflavan-4-one, (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one, (2S)-7-hydroxy-2-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-2,3-dihydrochromen-4-one, (2S)-7-hydroxy-2-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxyphenyl)chroman-4-one, RefChem:41552, DTXCID20126110, 4H-1-benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-, MFCD00210526, 4H-1-Benzopyran-4-one,2-[4-(b-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-, (2S)-7-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one, (2S)-2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one, 4-[(2S)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl beta-D-glucopyranoside, 4',7-Dihydroxyflavanone 4'-(beta-D-glucoside), UNII-T0O79T74CD, Likviriton, MLS000575018, Liquiritigenin-4'-O-glucoside, CHEMBL511995, orb1304873, orb3139864, SCHEMBL26113334, SCHEMBL29536850, Liquiritigenin-4'-beta-glucoside, GLXC-13392, HMS2214B11, HMS6019M03, liquiritigenin-4'-beta-D-glucoside, HY-N0376, MSK40205, BDBM50479044, s3930, AKOS015897117, CCG-268869, EBC-457047, ML08128, (S)-2-(4-(beta-D-Glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one, AC-34230, AS-74201, SMR000232362, 7-hydroxyflavanone 4'-O-beta-D-glucoside, liquiritigenin 4'-O-beta-D-glucopyranoside, CS-0008920, L0269, C16989, 4',7-Dihydroxyflavanone-4'-(b-D-glucopyranoside), LIQUIRITIGENIN 4'-.BETA.-D-GLUCOPYRANOSIDE, Q3242316, (2S)-2-[4-(|A-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one, (S)-7-Hydroxy-2-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-chroman-4-one, 4H-1-BENZOPYRAN-4-ONE, 2-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-, 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-, (S)-, 4H-1-Benzopyran-4-one, 2-[4-(?-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-, 7-Hydroxyflavanone 4 inverted exclamation marka-O-glucoside; (S)-7-hydroxy-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)chroman-4-one
Theoretical properties:
molecular_formula: C21H22O9
molecular_weight: 418.4 g/mol
exact_mass: 418.12638228 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 4
heavy_atom_count: 30
topological_polar_surface_area: 146 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Liquiritin is a flavanone glycoside that is liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has a role as an anticoronaviral agent, an anti-inflammatory agent and a plant metabolite. It is a beta-D-glucoside, a monohydroxyflavanone, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a liquiritigenin.
chebi: A flavanone glycoside that is  liquiritigenin attached to a β-<small>D</small>-glucopyranosyl residue at position 4' via a glycosidic linkage.
chembl: LIQUIRITIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Liquiritin is the 4'-O-glucoside of the flavanone liquiritigenin. Liquiritin is one of flavone compounds derived from licorice.