1.0 2010-04-08 22:11:14 UTC 2025-11-19 00:46:03 UTC FDB014381 L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid Widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages. Formed by Pictet-Spengler condensation of L-tryptophan and formaldehyde in nature or during food processing. L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is found in garden tomato (variety). (-)-3-Carboxy-1,2,3,4-tetrahydro-beta-carboline 1,2,3,4-Tetrahydro-b-carboline-3-carboxylic acid; L-form 3-Carboxy-1,2,3,4-tetrahydro-beta-carboline Cyclomethyltryptophan L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid C12H12N2O2 216.2359 216.089877638 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid 42438-90-4 OC(=O)C1CC2=C(CN1)NC1=CC=CC=C21 InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16) FSNCEEGOMTYXKY-UHFFFAOYSA-N belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Beta carbolines Organic compounds Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids Amino acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Pyrroles 3-alkylindole Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline 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 Secondary aliphatic amine Secondary amine logp -0.47 ALOGPS logs -2.37 ALOGPS solubility 9.24e-01 g/l ALOGPS melting_point Mp 282-284° logp -1.2 ChemAxon pka_strongest_acidic 1.97 ChemAxon pka_strongest_basic 8.99 ChemAxon iupac 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid ChemAxon average_mass 216.2359 ChemAxon mono_mass 216.089877638 ChemAxon smiles OC(=O)C1CC2=C(CN1)NC1=CC=CC=C21 ChemAxon formula C12H12N2O2 ChemAxon inchi InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16) ChemAxon inchikey FSNCEEGOMTYXKY-UHFFFAOYSA-N ChemAxon polar_surface_area 65.12 ChemAxon refractivity 59.41 ChemAxon polarizability 22.85 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108567 Specdb::MsMs 108568 Specdb::MsMs 108569 Specdb::MsMs 175824 Specdb::MsMs 175825 Specdb::MsMs 175826 Specdb::MsMs 2250976 Specdb::MsMs 2452450 Specdb::MsMs 2452451 Specdb::MsMs 2452452 Specdb::MsMs 2483655 Specdb::MsMs 2483656 Specdb::MsMs 2483657 Specdb::CMs 17616 Specdb::CMs 44485 Specdb::CMs 164451 Specdb::NmrOneD 132298 Specdb::NmrOneD 132299 Specdb::NmrOneD 132300 Specdb::NmrOneD 132301 Specdb::NmrOneD 132302 Specdb::NmrOneD 132303 Specdb::NmrOneD 132304 Specdb::NmrOneD 132305 Specdb::NmrOneD 132306 Specdb::NmrOneD 132307 Specdb::NmrOneD 132308 Specdb::NmrOneD 132309 Specdb::NmrOneD 132310 Specdb::NmrOneD 132311 Specdb::NmrOneD 132312 Specdb::NmrOneD 132313 Specdb::NmrOneD 132314 Specdb::NmrOneD 132315 Specdb::NmrOneD 132316 Specdb::NmrOneD 132317 HMDB35665 #<Reference:0x000055ce316aeaf0> Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755