1.0 2010-04-08 22:12:56 UTC 2019-11-26 03:14:21 UTC FDB017183 Cyanidin 3-(diferuloylsophoroside) 5-glucoside Isolated from red cabbage (Brassica oleracea). Cyanidin 3-(diferuloylsophoroside) 5-glucoside is found in brassicas. C17H26N2O 274.4011 274.204513464 3-ethyl-2-methyl-5-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-4-one 3-ethyl-2-methyl-5-(piperidin-1-ylmethyl)-1,5,6,7-tetrahydroindol-4-one 29223-00-5 CCC1=C(C)NC2=C1C(=O)C(CN1CCCCC1)CC2 InChI=1S/C17H26N2O/c1-3-14-12(2)18-15-8-7-13(17(20)16(14)15)11-19-9-5-4-6-10-19/h13,18H,3-11H2,1-2H3 XVOGXJDOZKYLGW-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Indoles and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Aromatic heteropolycyclic compounds Aralkylamines Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Piperidines Substituted pyrroles Trialkylamines Vinylogous amides Amine Aralkylamine Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Indole or derivatives Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Pyrrole Substituted pyrrole Tertiary aliphatic amine Tertiary amine Vinylogous amide logp 3.64 ALOGPS logs -2.91 ALOGPS solubility 3.34e-01 g/l ALOGPS logp 3.1 ChemAxon pka_strongest_acidic 15.34 ChemAxon pka_strongest_basic 8.82 ChemAxon iupac 3-ethyl-2-methyl-5-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-4-one ChemAxon average_mass 274.4011 ChemAxon mono_mass 274.204513464 ChemAxon smiles CCC1=C(C)NC2=C1C(=O)C(CN1CCCCC1)CC2 ChemAxon formula C17H26N2O ChemAxon inchi InChI=1S/C17H26N2O/c1-3-14-12(2)18-15-8-7-13(17(20)16(14)15)11-19-9-5-4-6-10-19/h13,18H,3-11H2,1-2H3 ChemAxon inchikey XVOGXJDOZKYLGW-UHFFFAOYSA-N ChemAxon polar_surface_area 36.1 ChemAxon refractivity 84.13 ChemAxon polarizability 33.34 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19313 Specdb::CMs 135567 Specdb::CMs 143301 Specdb::MsMs 103173 Specdb::MsMs 103174 Specdb::MsMs 103175 Specdb::MsMs 169143 Specdb::MsMs 169144 Specdb::MsMs 169145 Specdb::MsMs 2386469 Specdb::MsMs 2386470 Specdb::MsMs 2386471 Specdb::MsMs 2579094 Specdb::MsMs 2579095 Specdb::MsMs 2579096 HMDB37992 #<Reference:0x000055ce30f1f578> Brassicas Unknown generic 3705