1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:42 UTC FDB001501 Dimboa glucoside Dimboa glucoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Dimboa glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Dimboa glucoside can be found in common wheat and corn, which makes dimboa glucoside a potential biomarker for the consumption of these food products. 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside C15H19NO10 373.3121 373.100895833 (2R)-4-hydroxy-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one dimboa β-D-glucoside 18607-79-9 COC1=CC=C2N(O)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1 InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1 WTGXAWKVZMQEDA-XFWGRBSCSA-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 Hexoses Hydrocarbon derivatives Hydroxamic acids 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 Hydroxamic acid Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Oxazinane Polyol Primary alcohol Secondary alcohol DIMBOA glucoside logp -1.16 ALOGPS logs -1.31 ALOGPS solubility 1.84e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 7.85 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-4-hydroxy-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 373.3121 ChemAxon mono_mass 373.100895833 ChemAxon smiles COC1=CC=C2N(O)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1 ChemAxon formula C15H19NO10 ChemAxon inchi InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1 ChemAxon inchikey WTGXAWKVZMQEDA-XFWGRBSCSA-N ChemAxon polar_surface_area 158.38 ChemAxon refractivity 80.88 ChemAxon polarizability 34.69 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71994 Specdb::MsMs 71995 Specdb::MsMs 71996 Specdb::MsMs 130779 Specdb::MsMs 130780 Specdb::MsMs 130781 Specdb::MsMs 3597598 Specdb::MsMs 3597599 Specdb::MsMs 3597600 Specdb::MsMs 3597601 Specdb::MsMs 3597602 Specdb::MsMs 3597603 16603 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577