1.0 2020-04-02 17:53:02 UTC 2025-11-19 03:07:56 UTC FDB097367 Sparteine C15H22O 218.34 218.167065328 (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane C\C(CC\C=C(/C)C=O)=C/CCC(=C)C=C InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+ NOPLRNXKHZRXHT-YFVJMOTDSA-N belongs to the class of organic compounds known as sparteine, lupanine, and related alkaloids. These are alkaloids with a structure based on either sparteine, lupanine, or derivatives thereof. These are tetracyclic compounds made of two fused quinolizidine ring systems. Sparteine, lupanine, and related alkaloids Organic compounds Alkaloids and derivatives Lupin alkaloids Sparteine, lupanine, and related alkaloids Aliphatic heteropolycyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Piperidines Quinolizidines Trialkylamines Aliphatic heteropolycyclic compound Amine Azacycle Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Piperidine Quinolizidine Sparteine-lupanine skeleton Tertiary aliphatic amine Tertiary amine quinolizidine alkaloid quinolizidine alkaloid fundamental parent logp 2.98 ALOGPS logs -2.40 ALOGPS solubility 9.31e-01 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_basic 9.16 ChemAxon iupac (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane ChemAxon average_mass 218.34 ChemAxon mono_mass 218.167065328 ChemAxon smiles C\C(CC\C=C(/C)C=O)=C/CCC(=C)C=C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+ ChemAxon inchikey NOPLRNXKHZRXHT-YFVJMOTDSA-N ChemAxon polar_surface_area 6.48 ChemAxon refractivity 71.82 ChemAxon polarizability 28.78 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5639 Specdb::MsMs 60072 Specdb::MsMs 60073 Specdb::MsMs 60074 Specdb::MsMs 116331 Specdb::MsMs 116332 Specdb::MsMs 116333 Milk (Cow) Type 2 specific 1.425 1.88 1.18 uM