1.0 2010-04-08 22:05:42 UTC 2020-02-24 19:10:41 UTC FDB003201 1H-Indol-3-ylacetyl-myo-inositol Present in Oryza sativa (rice) and Zea mays (corn). 1H-Indol-3-ylacetyl-myo-inositol is found in cereals and cereal products, rice, and corn. 1-DL-(Indole-3-acetyl)-myo-inositol 2-Q-(Indole-3-acetyl)-myo-inositol indol-3-Ylacetyl-1D-myo-inositol indol-3-Ylacetyl-myo-inositol Indole-3-acetyl-1D-myo-inositol Indole-3-acetyl-myo-inositol Indole-3-ylacetyl-myo-inositol C16H19NO7 337.3246 337.116151967 (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1H-indol-3-yl)acetate (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 1H-indol-3-ylacetate 73925-84-5 O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H]1O InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1 XUACNUJFOIKYPQ-BKQXGZDCSA-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 Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid esters Cyclitols and derivatives Cyclohexanols Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Substituted pyrroles 3-alkylindole Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclitol or derivatives Cyclohexanol Heteroaromatic compound Hydrocarbon derivative Indole Indole-3-acetic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Pyrrole Secondary alcohol Substituted pyrrole cyclitol ester indoleacetic acid ester conjugate indoles logp -0.17 ALOGPS logs -1.51 ALOGPS solubility 1.04e+01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 12.35 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1H-indol-3-yl)acetate ChemAxon average_mass 337.3246 ChemAxon mono_mass 337.116151967 ChemAxon smiles O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H]1O ChemAxon formula C16H19NO7 ChemAxon inchi InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1 ChemAxon inchikey XUACNUJFOIKYPQ-BKQXGZDCSA-N ChemAxon polar_surface_area 143.24 ChemAxon refractivity 80.73 ChemAxon polarizability 33.16 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80331 Specdb::MsMs 80332 Specdb::MsMs 80333 Specdb::MsMs 141171 Specdb::MsMs 141172 Specdb::MsMs 141173 Specdb::MsMs 2791229 Specdb::MsMs 2791230 Specdb::MsMs 2791231 Specdb::MsMs 2914781 Specdb::MsMs 2914782 Specdb::MsMs 2914783 Specdb::CMs 12006 Specdb::CMs 42382 Specdb::CMs 159429 Specdb::NmrOneD 18202 Specdb::NmrOneD 18203 Specdb::NmrOneD 18204 Specdb::NmrOneD 18205 Specdb::NmrOneD 18206 Specdb::NmrOneD 18207 Specdb::NmrOneD 18208 Specdb::NmrOneD 18209 Specdb::NmrOneD 18210 Specdb::NmrOneD 18211 Specdb::NmrOneD 18212 Specdb::NmrOneD 18213 Specdb::NmrOneD 18214 Specdb::NmrOneD 18215 Specdb::NmrOneD 18216 Specdb::NmrOneD 18217 Specdb::NmrOneD 18218 Specdb::NmrOneD 18219 Specdb::NmrOneD 18220 Specdb::NmrOneD 18221 HMDB31182 #<Reference:0x000055ce328bc198> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Rice Type 1 specific Oryza sativa 4530 0.45 0.45 0.45 mg/100 g