1.0 2010-04-08 22:04:46 UTC 2019-11-26 02:55:39 UTC FDB000938 3-(1H-Indol-3-yl)-2-propenoic acid Major auxin from roots of Lens culinaris (lentil) A natural auxin from lentil roots. Inhibits the growth of mycelia of Neurospora crassa and causes the cells to accumulate indoleglycerol phosphate. 3-(1H-Indol-3-yl)-2-propenoic acid is found in lentils and pulses. 1H-Indole-3-propenoic acid 2-Propenoic acid, 3-(1-H-indol-3-yl) 2-Propenoic acid, 3-(1H-indol-3-yl)- 3-(3-Indolyl)acrylic acid 3-(Indol-3-yl)acrylic acid 3-indoleacrylate 3-indoleacrylic acid 3-Indolylacrylic acid Indole-3-acrylic acid Indole-3β-acrylic acid Indole-3beta-acrylic acid Indoleacrylate Indoleacrylic acid C11H9NO2 187.1947 187.063328537 (2Z)-3-(1H-indol-3-yl)prop-2-enoic acid (2Z)-3-(1H-indol-3-yl)prop-2-enoic acid 1204-06-4 OC(=O)\C=C/C1=CNC2=C1C=CC=C2 InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- PLVPPLCLBIEYEA-WAYWQWQTSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Solid logp 2.29 ALOGPS logs -2.90 ALOGPS solubility 2.36e-01 g/l ALOGPS melting_point 180 - 186 oC logp 2.23 ChemAxon pka_strongest_acidic 4.15 ChemAxon iupac (2Z)-3-(1H-indol-3-yl)prop-2-enoic acid ChemAxon average_mass 187.1947 ChemAxon mono_mass 187.063328537 ChemAxon smiles OC(=O)\C=C/C1=CNC2=C1C=CC=C2 ChemAxon formula C11H9NO2 ChemAxon inchi InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- ChemAxon inchikey PLVPPLCLBIEYEA-WAYWQWQTSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 54.15 ChemAxon polarizability 19.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89934 Specdb::MsMs 89935 Specdb::MsMs 89936 Specdb::MsMs 152982 Specdb::MsMs 152983 Specdb::MsMs 152984 HMDB00734 Lentils Type 1 generic Lens culinaris 3864 Pulses Unknown generic