{"ymdb_id":"YMDB15988","created_at":"2016-08-03T23:51:24.000Z","updated_at":"2016-09-11T18:50:54.000Z","name":"Dihydroactinidiolide","cas":null,"state":null,"melting_point":null,"description":"Dihydroactinidiolide belongs to the class of chemical entities known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.","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":"4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one","traditional_iupac":"dihydroactinidiolide","logp":"2.5675599269999996","pka":null,"alogps_solubility":"6.14e-01 g/l","alogps_logp":"3.28","alogps_logs":"-2.47","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"26.3","refractivity":"50.9329","polarizability":"19.888880533069575","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.8420260168503555","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":[]}