{"ymdb_id":"YMDB16103","created_at":"2016-08-03T23:53:26.000Z","updated_at":"2016-09-10T00:52:04.000Z","name":"beta-Sesquiphellandrene","cas":null,"state":null,"melting_point":null,"description":"beta-Sesquiphellandrene is found in common oregano. beta-Sesquiphellandrene is a constituent of the oil of ginger (Zingiber officinale). beta-Sesquiphellandrene belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.","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":"(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene","traditional_iupac":"(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene","logp":"4.923184751333333","pka":null,"alogps_solubility":"2.03e-03 g/l","alogps_logp":"5.71","alogps_logs":"-5.00","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"0.0","refractivity":"70.5495","polarizability":"26.76308566870631","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","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":[]}