1.0 2016-05-26 00:04:59 UTC 2026-04-04 15:47:48 UTC Quercetagetin SmallMolecule Quercetagetin is an organic compound with the chemical formula $\text{C}_{15}\text{H}_{10}\text{O}_8$ and an average molecular weight of 318.24 g/mol. Quercetagetin belongs to the flavones, a subclass of flavonoids within the organic compounds. It is further categorized under the superclass of phenylpropanoids and polyketides. In industrial applications, this compound serves as a humectant. Quercetagetin is found in or released from 13 recorded sources across various categories. Within the realm of food, food processing, and cookware, it is associated with the preparation of malt, vinegar, wine or sparkling wine, molasses and the treatment of molasses, and cellar tools, among three additional sources. Additionally, the compound is identified in household cleaning and consumer products, specifically in tobacco pipes, tobacco product cases, other smoking requisites, pipe accessories, and non-electric simulated smoking devices. C15H10O8 318.2351 318.037567296 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one quercetagetin 90-18-6 OC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H ZVOLCUVKHLEPEV-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Flavonols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Catechols Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Vinylogous acid Aromatic heteropolycyclic compounds Flavones and Flavonols Flavones and Flavonols flavonols flavonols hexahydroxyflavone Detected and Not Quantified logp 1.70 ALOGPS logs -2.99 ALOGPS solubility 3.22e-01 g/l ALOGPS logp 1.85 ChemAxon pka_strongest_acidic 6.56 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one ChemAxon average_mass 318.2351 ChemAxon mono_mass 318.037567296 ChemAxon smiles OC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 ChemAxon formula C15H10O8 ChemAxon inchi InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H ChemAxon inchikey ZVOLCUVKHLEPEV-UHFFFAOYSA-N ChemAxon polar_surface_area 147.68 ChemAxon refractivity 78.84 ChemAxon polarizability 29.49 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726748f8d8> 5281680 4444999