1.0 2010-04-08 22:07:28 UTC 2025-11-18 23:04:05 UTC FDB007141 Solanthrene Solanthrene is practically insoluble (in water) and a very strong basic compound (based on its pKa). Solanthrene can be found in potato, which makes solanthrene a potential biomarker for the consumption of this food product. C27H43N 381.637 381.339550381 (16S,20S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-ene (16S,20S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-ene C[C@@H]1C2CC[C@H](C)CN2C2CC3C4CC=C5CCCCC5(C)C4CCC3(C)C12 InChI=1S/C27H43N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h9,17-18,20-25H,5-8,10-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?/m0/s1 HKIXEELOHWFWNE-MRUWGKKBSA-N belongs to the class of organic compounds known as solanidines and derivatives. These are steroids with a structure based on the solanidane skeleton. Solanidane arises from the conversion of a cholestane side-chain into a bicyclic system. Solanidines and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Aliphatic heteropolycyclic compounds Alkaloids and derivatives Azacyclic compounds Azasteroids and derivatives Delta-5-steroids Hydrocarbon derivatives Indolizidines N-alkylpyrrolidines Organopnictogen compounds Piperidines Trialkylamines Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azasteroid Delta-5-steroid Hydrocarbon derivative Indolizidine N-alkylpyrrolidine Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Piperidine Pyrrolidine Solanidane skeleton Tertiary aliphatic amine Tertiary amine logp 5.91 ALOGPS logs -6.67 ALOGPS solubility 8.17e-05 g/l ALOGPS logp 6.27 ChemAxon pka_strongest_basic 12.47 ChemAxon iupac (16S,20S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-ene ChemAxon average_mass 381.637 ChemAxon mono_mass 381.339550381 ChemAxon smiles C[C@@H]1C2CC[C@H](C)CN2C2CC3C4CC=C5CCCCC5(C)C4CCC3(C)C12 ChemAxon formula C27H43N ChemAxon inchi InChI=1S/C27H43N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h9,17-18,20-25H,5-8,10-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?/m0/s1 ChemAxon inchikey HKIXEELOHWFWNE-MRUWGKKBSA-N ChemAxon polar_surface_area 3.24 ChemAxon refractivity 119.19 ChemAxon polarizability 49.54 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92151 Specdb::MsMs 92152 Specdb::MsMs 92153 Specdb::MsMs 155721 Specdb::MsMs 155722 Specdb::MsMs 155723 Specdb::MsMs 3603707 Specdb::MsMs 3603708 Specdb::MsMs 3603709 Specdb::MsMs 3603710 Specdb::MsMs 3603711 Specdb::MsMs 3603712 Potato Type 1 specific Solanum tuberosum 4113