1.0 2010-04-08 22:05:17 UTC 2025-11-18 22:35:44 UTC FDB002218 Myrtine Alkaloid from Vaccinium myrtillus (bilberry) aerial parts. Myrtine is found in fruits and bilberry. Myrtine Myrtine hydrochloride C10H17NO 167.2481 167.131014171 4-methyl-octahydro-1H-quinolizin-2-one 4-methyl-octahydroquinolizin-2-one 66835-10-7 CC1CC(=O)CC2CCCCN12 InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3 GDQCWCOVKFXWMP-UHFFFAOYSA-N belongs to the class of organic compounds known as quinolizines. Quinolizines are compounds containing a quinolizine moiety, which consists of two fused pyridine rings sharing a nitrogen atom. Quinolizines Organic compounds Organoheterocyclic compounds Quinolizines Aliphatic heteropolycyclic compounds Azacyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Organopnictogen compounds Piperidinones Quinolizidines Trialkylamines Aliphatic heteropolycyclic compound Amine Azacycle Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Piperidinone Quinolizidine Quinolizine Tertiary aliphatic amine Tertiary amine logp 1.58 ALOGPS logs -0.39 ALOGPS solubility 6.82e+01 g/l ALOGPS logp 1.5 ChemAxon pka_strongest_acidic 18.16 ChemAxon pka_strongest_basic 8.98 ChemAxon iupac 4-methyl-octahydro-1H-quinolizin-2-one ChemAxon average_mass 167.2481 ChemAxon mono_mass 167.131014171 ChemAxon smiles CC1CC(=O)CC2CCCCN12 ChemAxon formula C10H17NO ChemAxon inchi InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3 ChemAxon inchikey GDQCWCOVKFXWMP-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 48.69 ChemAxon polarizability 19.35 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14369 Specdb::CMs 135961 Specdb::CMs 143695 Specdb::NmrOneD 17222 Specdb::NmrOneD 17223 Specdb::NmrOneD 17224 Specdb::NmrOneD 17225 Specdb::NmrOneD 17226 Specdb::NmrOneD 17227 Specdb::NmrOneD 17228 Specdb::NmrOneD 17229 Specdb::NmrOneD 17230 Specdb::NmrOneD 17231 Specdb::NmrOneD 17232 Specdb::NmrOneD 17233 Specdb::NmrOneD 17234 Specdb::NmrOneD 17235 Specdb::NmrOneD 17236 Specdb::NmrOneD 17237 Specdb::NmrOneD 17238 Specdb::NmrOneD 17239 Specdb::NmrOneD 17240 Specdb::NmrOneD 17241 Specdb::MsMs 8993 Specdb::MsMs 8994 Specdb::MsMs 8995 Specdb::MsMs 9692 Specdb::MsMs 9693 Specdb::MsMs 9694 Specdb::MsMs 15665 Specdb::MsMs 15666 Specdb::MsMs 15667 Specdb::MsMs 16364 Specdb::MsMs 16365 Specdb::MsMs 16366 Specdb::MsMs 2324494 Specdb::MsMs 2324495 Specdb::MsMs 2324496 Specdb::MsMs 2611181 Specdb::MsMs 2611182 Specdb::MsMs 2611183 HMDB0030371 Bilberry Type 1 specific Vaccinium myrtillus 180763 1.375 1.75 1.0 mg/100 g Fruits Unknown generic