Compound: Monoxerutin
SMILES: O=c1c(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)c(oc4c1c(O)cc(c4)OCCO)-c5cc(O)c(O)cc5
InChIKey: MBHXKZDTQCSVPM-BDAFLREQSA-N
Synonyms: Monoxerutin, Monoxerutina, Monoxerutine, Monoxerutin [INN], Monoxerutinum, Rutilemone, beta-Hydroxyethylrutosid, Mono-7-hydroxyethylrutoside, O-(beta-Hydroxyethyl)rutin, ZYMA SA, UNII-EKF7043SBU, Monoxerutine [INN-French], Monoxerutinum [INN-Latin], Monoxerutina [INN-Spanish], EKF7043SBU, O-(beta-Hydroxyethyl)rutoside, Monoxerutin (INN), (beta-hydroxyethyl)rutoside, o-, EINECS 245-917-9, BRN 4777354, MONOXERUTIN [MART.], MONOXERUTIN [WHO-DD], (.BETA.-HYDROXYETHYL)RUTOSIDE, O-, 7-O-(.BETA.-HYDROXYETHYL)RUTOSIDE, DTXSID70905139, Z 12007, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, O-(.BETA.-HYDROXYETHYL)RUTOSIDE, 7-, Monoxerutine (INN-French), Monoxerutinum (INN-Latin), Monoxerutina (INN-Spanish), MONOXERUTIN (MART.), 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl-(6-O-(6-desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosid), 3,3',4',5-Tetrahydroxy-7-(2-hydroxyethoxy)flavon-3-(6-O-(6-desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosid), Flavone, 3,3',4',5-tetrahydroxy-7-(2-hydroxyethoxy)-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside), 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one, RefChem:159636, DTXCID701334243, 7-O-(BETA-HYDROXYETHYL)RUTOSIDE, O-(BETA-HYDROXYETHYL)RUTOSIDE, 7-, 245-917-9, 23869-24-1, monoHER, 3,3',4',5-Tetrahydroxy-7-(2-hydroxyethoxy)flavone 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside), Relvene, Varemoid, 7-monohydroxyethylrutoside, Troxerutin Impurity 19, SCHEMBL435347, orb1696025, CHEMBL3527416, SCHEMBL29462911, SCHEMBL30237109, CHEBI:134704, MBHXKZDTQCSVPM-BDAFLREQSA-N, AKOS040753131, DB13764, FM176239, HY-121710, CS-0083098, D07179, Q6902068, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Theoretical properties:
molecular_formula: C29H34O17
molecular_weight: 654.6 g/mol
exact_mass: 654.17959961 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 10
hydrogen_bond_acceptor_count: 17
rotatable_bond_count: 9
heavy_atom_count: 46
topological_polar_surface_area: 275 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Monoxerutin is a glycoside and a member of flavonoids.
chembl: MONOXERUTIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Monoxerutin is a flavonol, a type of flavonoid. It is more accurately a hydroxyethylrutoside.