{"ymdb_id":"YMDB16053","created_at":"2016-08-03T23:52:28.000Z","updated_at":"2016-09-10T00:52:14.000Z","name":"Nerolidol","cas":null,"state":null,"melting_point":null,"description":"Nerolidol is found in bitter gourd. Nerolidol is a component of many essential oils. The (S)-enantiomer is the commoner and occurs mostly as the (S)-(E)-isomer. Nerolidol is a flavouring agent. Nerolidol has been shown to exhibit anti-fungal function (PMID 17202684). Nerolidol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive 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":"(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","traditional_iupac":"nerolidol","logp":"4.307206727666666","pka":null,"alogps_solubility":"2.12e-02 g/l","alogps_logp":"4.55","alogps_logs":"-4.02","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"7","polar_surface_area":"20.23","refractivity":"74.00919999999999","polarizability":"28.721938535450253","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.2856635435302817","pka_strongest_acidic":"18.459388332120984","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":[]}