1.0 2010-04-08 22:08:06 UTC 2019-11-26 03:02:40 UTC FDB008497 Tussilagine Alkaloid artifact from Tussilago farfara (coltsfoot) resulting from the use of MeOH during isol. Tussilagine is found in tea. Tussilagine C10H17NO3 199.2469 199.120843415 methyl (1S,2S,7aS)-2-hydroxy-2-methyl-hexahydro-1H-pyrrolizine-1-carboxylate tussilagine 80151-77-5 COC(=O)C1C2CCCN2CC1(C)O InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3 LADVYSUMGRTFSZ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolizidines. Pyrrolizidines are compounds containing a pyrrolizidine, which is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom. Pyrrolizidines Organic compounds Organoheterocyclic compounds Pyrrolizidines Aliphatic heteropolycyclic compounds 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Pyrrolidine carboxylic acids Tertiary alcohols Trialkylamines 1,2-aminoalcohol Alcohol Aliphatic heteropolycyclic compound Amine Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Pyrrolizidine Tertiary alcohol Tertiary aliphatic amine Tertiary amine Pyrrolizidine alkaloids pyrrolizines melting_point Mp 193° (dec.) logp -0.052 ChemAxon pka_strongest_acidic 14.11 ChemAxon pka_strongest_basic 9.59 ChemAxon iupac methyl (1S,2S,7aS)-2-hydroxy-2-methyl-hexahydro-1H-pyrrolizine-1-carboxylate ChemAxon average_mass 199.2469 ChemAxon mono_mass 199.120843415 ChemAxon smiles COC(=O)C1C2CCCN2CC1(C)O ChemAxon formula C10H17NO3 ChemAxon inchi InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3 ChemAxon inchikey LADVYSUMGRTFSZ-UHFFFAOYSA-N ChemAxon polar_surface_area 49.77 ChemAxon refractivity 51.44 ChemAxon polarizability 21.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442