{"ymdb_id":"YMDB01715","created_at":"2011-08-31T03:39:01.000Z","updated_at":"2016-09-08T18:37:02.000Z","name":"Humulene","cas":"6753-98-6","state":"Solid","melting_point":"\u003c 25 oC","description":"Humulene is one of many sesquiterpenoids that are derived from farnesyl diphosphate (FPP). The biosynthesis begins with the loss of diphosphate from FPP under the action of sesquiterpene synthesis enzymes, generating an allylic cation that is highly susceptible to intramolecular attacks. It is a hop oil constituent/fermentation product.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"5768","hmdb_id":null,"kegg_id":"C09684","pubchem_id":"23204","cs_id":"25995683","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(1Z,4E,8E)-4,8,11,11-tetramethylcycloundeca-1,4,8-triene","traditional_iupac":"humulene","logp":"4.8782791046666665","pka":null,"alogps_solubility":"1.08e-02 g/l","alogps_logp":"6.07","alogps_logs":"-4.28","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0","refractivity":"71.5485","polarizability":"25.461649004580067","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":["(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene","(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene","1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-","2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene","alpha-caryophyllene","alpha-Humulen","alpha-Humulene","alpha-Humulene (alpha-caryophyllene)","alpha-Humulenen","Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-","Humulene"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}