1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:59 UTC FDB016282 (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside Constituent of the roots of Coix lachryma-joba (Job's tears) and from wheat and sweet corn (Zea mays). (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are cereals and cereal products, coffee and coffee products, tea, and alcoholic beverages. (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside (R)-N-Methoxy-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-O-b-D-glucopyranoside HDMBOA-Glc C16H21NO10 387.3386 387.116545897 4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one 4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one 113565-33-6 CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=C1C=CC(OC)=C2 InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3 UOASSFRPBORTCT-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Azacyclic compounds Benzomorpholines Benzoxazinones Carbonyl compounds Carboxylic acids and derivatives Hexoses Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzomorpholine Benzoxazine Benzoxazinone Carbonyl group Carboxylic acid derivative Ether Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Oxazinane Polyol Primary alcohol Secondary alcohol a glucoside an indole derivative logp -0.53 ALOGPS logs -1.33 ALOGPS solubility 1.82e+01 g/l ALOGPS melting_point Mp 143-145° logp -1.4 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 387.3386 ChemAxon mono_mass 387.116545897 ChemAxon smiles CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=C1C=CC(OC)=C2 ChemAxon formula C16H21NO10 ChemAxon inchi InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3 ChemAxon inchikey UOASSFRPBORTCT-UHFFFAOYSA-N ChemAxon polar_surface_area 147.38 ChemAxon refractivity 85.37 ChemAxon polarizability 36.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12884 Specdb::CMs 45294 Specdb::CMs 166675 Specdb::NmrOneD 139810 Specdb::NmrOneD 139811 Specdb::NmrOneD 139812 Specdb::NmrOneD 139813 Specdb::NmrOneD 139814 Specdb::NmrOneD 139815 Specdb::NmrOneD 139816 Specdb::NmrOneD 139817 Specdb::NmrOneD 139818 Specdb::NmrOneD 139819 Specdb::NmrOneD 139820 Specdb::NmrOneD 139821 Specdb::NmrOneD 139822 Specdb::NmrOneD 139823 Specdb::NmrOneD 139824 Specdb::NmrOneD 139825 Specdb::NmrOneD 139826 Specdb::NmrOneD 139827 Specdb::NmrOneD 139828 Specdb::NmrOneD 139829 Specdb::MsMs 70551 Specdb::MsMs 70552 Specdb::MsMs 70553 Specdb::MsMs 129072 Specdb::MsMs 129073 Specdb::MsMs 129074 Specdb::MsMs 2252605 Specdb::MsMs 2253857 Specdb::MsMs 2402852 Specdb::MsMs 2402853 Specdb::MsMs 2402854 Specdb::MsMs 2533332 Specdb::MsMs 2533333 Specdb::MsMs 2533334 HMDB37265 #<Reference:0x000055ce302c27a8> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442