{"ymdb_id":"YMDB16086","created_at":"2016-08-03T23:52:59.000Z","updated_at":"2016-09-11T18:51:04.000Z","name":"Theaspirane b","cas":null,"state":null,"melting_point":null,"description":"Theaspirane b belongs to the class of chemical entities known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene","traditional_iupac":"2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene","logp":"3.4502819229999995","pka":null,"alogps_solubility":"3.19e-02 g/l","alogps_logp":"4.29","alogps_logs":"-3.79","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"9.23","refractivity":"59.99040000000001","polarizability":"23.592602191270988","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.219229363935523","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}