1.0 2010-04-08 22:10:43 UTC 2019-11-26 03:08:26 UTC FDB013446 Cheritamine Alkaloid from Annona cherimola (cherimoya). Cheritamine is found in cherimoya and fruits. Cheritamine Nb-(25-Triacontenoyl)tryptamine C40H68N2O 592.9807 592.533164808 (25Z)-N-[2-(1H-indol-3-yl)ethyl]triacont-25-enamide (25Z)-N-[2-(1H-indol-3-yl)ethyl]triacont-25-enamide 223696-37-5 CCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2 InChI=1S/C40H68N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-40(43)41-35-34-37-36-42-39-32-30-29-31-38(37)39/h5-6,29-32,36,42H,2-4,7-28,33-35H2,1H3,(H,41,43)/b6-5- LXLNMBSRXCWRHE-WAYWQWQTSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Secondary carboxylic acid amide Substituted pyrrole logp 10.57 ALOGPS logs -8.00 ALOGPS solubility 5.98e-06 g/l ALOGPS melting_point Mp 121-123° logp 13.65 ChemAxon pka_strongest_acidic 15.9 ChemAxon pka_strongest_basic -0.25 ChemAxon iupac (25Z)-N-[2-(1H-indol-3-yl)ethyl]triacont-25-enamide ChemAxon average_mass 592.9807 ChemAxon mono_mass 592.533164808 ChemAxon smiles CCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2 ChemAxon formula C40H68N2O ChemAxon inchi InChI=1S/C40H68N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-40(43)41-35-34-37-36-42-39-32-30-29-31-38(37)39/h5-6,29-32,36,42H,2-4,7-28,33-35H2,1H3,(H,41,43)/b6-5- ChemAxon inchikey LXLNMBSRXCWRHE-WAYWQWQTSA-N ChemAxon polar_surface_area 44.89 ChemAxon refractivity 189.79 ChemAxon polarizability 80.86 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25606 Specdb::MsMs 50829 Specdb::MsMs 50830 Specdb::MsMs 50831 Specdb::MsMs 141846 Specdb::MsMs 141847 Specdb::MsMs 141848 Specdb::MsMs 2755543 Specdb::MsMs 2755544 Specdb::MsMs 2755545 Specdb::MsMs 2954271 Specdb::MsMs 2954272 Specdb::MsMs 2954273 HMDB34872 #<Reference:0x000055ce32453d90> Cherimoya Type 1 specific Annona cherimola 49314 Fruits Unknown generic