1.0 2010-04-08 22:04:57 UTC 2025-11-18 22:31:06 UTC FDB001408 4-O-(Indole-3-acetyl)-D-glucopyranose 4-o-(indole-3-acetyl)-d-glucopyranose, also known as indole-3-acetyl-beta-1-D-glucose or B-D-glucopyranose, 1-(1h-indole-3-acetic acid), belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 4-o-(indole-3-acetyl)-d-glucopyranose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-o-(indole-3-acetyl)-d-glucopyranose can be found in corn, which makes 4-o-(indole-3-acetyl)-d-glucopyranose a potential biomarker for the consumption of this food product. (Indole-3-acetyl)-glucan 6-Q-(indole-3-acetyl)-D-glucopyranose beta-(1-4)-Cellulosic glucan(7 to 50 glucose units/IAA) C16H19NO7 337.3246 337.116151967 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(1H-indol-3-yl)acetate iaa-glucose 52703-89-6 OC[C@H]1O[C@@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1 HHDMMUWDSFASNB-JZYAIQKZSA-N belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetic acid derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Acetals Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Substituted pyrroles 3-alkylindole Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Indole Indole-3-acetic acid derivative Monocarboxylic acid or derivatives Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Pyrrole Secondary alcohol Substituted pyrrole indoleacetic acid ester conjugate indolyl carbohydrate logp 0.02 ALOGPS logs -1.71 ALOGPS solubility 6.62e+00 g/l ALOGPS logp -0.56 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(1H-indol-3-yl)acetate ChemAxon average_mass 337.3246 ChemAxon mono_mass 337.116151967 ChemAxon smiles OC[C@H]1O[C@@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C16H19NO7 ChemAxon inchi InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1 ChemAxon inchikey HHDMMUWDSFASNB-JZYAIQKZSA-N ChemAxon polar_surface_area 132.24 ChemAxon refractivity 80.88 ChemAxon polarizability 31.71 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84231 Specdb::MsMs 84232 Specdb::MsMs 84233 Specdb::MsMs 146019 Specdb::MsMs 146020 Specdb::MsMs 146021 Specdb::MsMs 3597241 Specdb::MsMs 3597242 Specdb::MsMs 3597243 Specdb::MsMs 3597244 Specdb::MsMs 3597245 Specdb::MsMs 3597246 Corn Type 1 specific Zea mays 4577