1.0 2010-04-08 22:12:50 UTC 2019-11-26 03:14:11 UTC FDB017095 Quercetin 4'-glucoside Spiraeoside is the 4'-O-glucoside of quercetin. Quercetin 4'-glucoside is found in many foods, some of which are garden onion, sweet cherry, shallot, and garden onion (variety). 3,3',4',5,7-Pentahydroxyflavone 4'-O-b-D-glucopyranoside Quercetin 4'-glucoside Quercetin 4'-O-beta-D-glucopyranoside Quercetin 4'-O-beta-D-glucoside Quercetin 4'-O-glucoside Spiraein Spiraeosid Spiraeoside Spireoside (6CI,7CI,8CI) C21H20O12 464.3763 464.095476104 3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one spiraeoside 20229-56-5 OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 OIUBYZLTFSLSBY-HMGRVEAOSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Chromones Flavonols Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavone 3-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid beta-D-glucoside flavonols monosaccharide derivative quercetin O-glucoside tetrahydroxyflavone logp 0.63 ALOGPS logs -2.46 ALOGPS solubility 1.59e+00 g/l ALOGPS melting_point Mp 240-241° (209-210°) logp -0.11 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 464.3763 ChemAxon mono_mass 464.095476104 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C21H20O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 ChemAxon inchikey OIUBYZLTFSLSBY-HMGRVEAOSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 109.01 ChemAxon polarizability 44.02 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18073 Specdb::CMs 45595 Specdb::CMs 164799 Specdb::MsMs 76611 Specdb::MsMs 76612 Specdb::MsMs 76613 Specdb::MsMs 136482 Specdb::MsMs 136483 Specdb::MsMs 136484 Specdb::MsMs 285791 Specdb::MsMs 285792 Specdb::MsMs 285793 Specdb::MsMs 285794 Specdb::MsMs 285795 Specdb::MsMs 373765 Specdb::MsMs 373766 Specdb::MsMs 373767 Specdb::MsMs 373768 Specdb::MsMs 373769 Specdb::MsMs 439219 Specdb::MsMs 440267 Specdb::MsMs 440268 Specdb::MsMs 440269 Specdb::MsMs 440270 Specdb::MsMs 440501 Specdb::MsMs 448160 Specdb::MsMs 452255 Specdb::MsMs 2226882 Specdb::NmrOneD 23642 Specdb::NmrOneD 23643 Specdb::NmrOneD 23644 Specdb::NmrOneD 23645 Specdb::NmrOneD 23646 Specdb::NmrOneD 23647 Specdb::NmrOneD 23648 Specdb::NmrOneD 23649 Specdb::NmrOneD 23650 Specdb::NmrOneD 23651 Specdb::NmrOneD 23652 Specdb::NmrOneD 23653 Specdb::NmrOneD 23654 Specdb::NmrOneD 23655 Specdb::NmrOneD 23656 Specdb::NmrOneD 23657 Specdb::NmrOneD 23658 Specdb::NmrOneD 23659 Specdb::NmrOneD 23660 Specdb::NmrOneD 23661 HMDB37932 #<Reference:0x000055ce33100728> Garden onion Type 1 specific Allium cepa 4679 570.0 570.0 570.0 mg/100 g Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 23.148264 43.713288092 2.25 mg/100 g Shallot Type 1 specific Allium ascalonicum 1476995 35.60265 35.602649689 35.602649689 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 Yali pear Type 1 specific Pyrus × bretschneideri Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). Anti neoplastic 465 A substance that inhibits or prevents the proliferation of neoplasms. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Quinone-reductase inducer 1277