{"ymdb_id":"YMDB15990","created_at":"2016-08-03T23:51:26.000Z","updated_at":"2016-09-10T00:52:21.000Z","name":"Dihydropseudoionone","cas":null,"state":null,"melting_point":null,"description":"Dihydropseudoionone, or geranylacetone is found in carrot. Geranylacetone is a constituent of many essential oils including peppermint (Mentha piperita) and Carolina vanilla (Carphephorus odoratissimus). Geranylacetone is used in food flavouring.. Geranylacetone belongs to the family of Monoterpenes. These are compounds contaning a chain of two isoprene units.","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":"(5E)-6,10-dimethylundeca-5,9-dien-2-one","traditional_iupac":"geranylacetone","logp":"3.6816755403333334","pka":null,"alogps_solubility":"9.42e-02 g/l","alogps_logp":"4.59","alogps_logs":"-3.31","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"17.07","refractivity":"63.8259","polarizability":"24.90987585771945","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.2778271430393975","pka_strongest_acidic":"19.598762051814717","bioavailability":"1","number_of_rings":"0","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":[]}