{"ymdb_id":"YMDB15992","created_at":"2016-08-03T23:51:27.000Z","updated_at":"2016-09-11T18:50:54.000Z","name":"Edulan i","cas":null,"state":null,"melting_point":null,"description":"Edulan i belongs to the class of chemical entities known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.","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":"2,5,5,8a-tetramethyl-3,5,6,8a-tetrahydro-2H-1-benzopyran","traditional_iupac":"2,5,5,8a-tetramethyl-3,6-dihydro-2H-1-benzopyran","logp":"3.0104065363333326","pka":null,"alogps_solubility":"6.23e-02 g/l","alogps_logp":"4.47","alogps_logs":"-3.49","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"9.23","refractivity":"61.184000000000005","polarizability":"23.095009112341334","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.243623608495808","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":[]}