1.0 2010-04-08 22:05:07 UTC 2025-11-18 22:32:57 UTC FDB001789 Chakanoside I Chakanoside i is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Chakanoside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Chakanoside i can be found in tea, which makes chakanoside i a potential biomarker for the consumption of this food product. Phenacyl beta-D-glucopyranoside C14H18O7 298.2885 298.10525293 1-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-one 1-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethanone 1075184-15-4 OC[C@H]1O[C@@H](OCC(=O)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C14H18O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,10-15,17-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 CJQCIXJPXYAJCU-RKQHYHRCSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Acetals Aryl alkyl ketones Benzoyl derivatives Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl-phenylketone Aromatic heteromonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.38 ALOGPS logs -1.12 ALOGPS solubility 2.27e+01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-one ChemAxon average_mass 298.2885 ChemAxon mono_mass 298.10525293 ChemAxon smiles OC[C@H]1O[C@@H](OCC(=O)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C14H18O7 ChemAxon inchi InChI=1S/C14H18O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,10-15,17-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 ChemAxon inchikey CJQCIXJPXYAJCU-RKQHYHRCSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 70.58 ChemAxon polarizability 29.02 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105570 Specdb::MsMs 105571 Specdb::MsMs 105572 Specdb::MsMs 172089 Specdb::MsMs 172090 Specdb::MsMs 172091 Specdb::MsMs 3598480 Specdb::MsMs 3598481 Specdb::MsMs 3598482 Specdb::MsMs 3598483 Specdb::MsMs 3598484 Specdb::MsMs 3598485 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442