Compound: Lonicerin
SMILES: O=c1c2c(oc(c1)-c3cc(O)c(O)cc3)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)O)CO)cc2O
InChIKey: SHPPXMGVUDNKLV-KMFFXDMSSA-N
Synonyms: Lonicerin, Veronicastroside, 25694-72-8, Luteolin-7-O-rhamnoside, Luteoline-7-rhamnoglucoside, ALJ2FB4ZDM, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, DTXSID30180389, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one, 7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one, RefChem:924914, DTXCID90102880, Luteolin 7-O-neohesperidoside, LUTEOLIN-7-O-NEOHESPERIDOSIDE, Luteolin 7-neohesperidoside, CHEMBL452979, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chromen-4-one, 7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside, 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one, 7-(((2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-(((2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY)OXAN-2-YL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-4H-CHROMEN-4-ONE, MFCD31725058, Honeysuckle glycosides, Lonicerin (Standard), UNII-ALJ2FB4ZDM, orb1297300, orb3140543, SCHEMBL2146638, SCHEMBL30640700, CHEBI:31788, HY-N4136R, EX-A6773, HY-N4136, BDBM50242285, luteolin-7-O-beta-D-neohesperidoside, luteolin-7-O-beta-D-noehesperidoside, AKOS030530345, EBC-520409, OL74353, AS-75312, DA-75075, CS-0032185, NS00125303, LUTEOLIN 7-O-.BETA.-D-NEOHESPERIDOSIDE, Q3564258, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, 4H-1-BENZOPYRAN-4-ONE, 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-, 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-4H-1-BENZOPYRAN-4-ONE, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chromen-4-one, FLAVONE, 3',4',5,7-TETRAHYDROXY-, 7-(2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSIDE) (
Theoretical properties:
molecular_formula: C27H30O15
molecular_weight: 594.5 g/mol
exact_mass: 594.15847025 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 9
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 6
heavy_atom_count: 42
topological_polar_surface_area: 245 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Luteolin 7-O-neohesperidoside is a disaccharide derivative that is luteolin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite and an antibacterial agent. It is a neohesperidoside, a trihydroxyflavone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to a luteolin.
chebi: A disaccharide derivative that is luteolin  substituted by a 2-<em>O</em>-(α-<small>L</small>-rhamnopyranosyl)-β-<small>D</small>-glucopyranosyl moiety at position 7 via a glycosidic linkage.
chembl: LONICERIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Veronicastroside (identical to Lonicerin) is a flavone, a type of flavonoid. It is the 7-O-neohesperidoside of luteolin. It can be found in Veronicastrum sibiricum var. japonicum and in Teucrium gnaphalodes.