{"ymdb_id":"YMDB01637","created_at":"2011-08-31T03:30:51.000Z","updated_at":"2016-09-08T18:36:55.000Z","name":"Anethole","cas":"104-46-1","state":"Liquid","melting_point":"21.3 oC","description":"Anethole is a phenylpropene, a type of aromatic compound that occurs widely in natural essential oils. It contributes a large component of the distinctive flavors of anise and fennel (both in the botanical family Apiaceae), anise myrtle (Myrtaceae), liquorice (Fabaceae), and star anise (Illiciaceae). It is responsible for aniseed or spicy-herbal aromas. Closely related to anethole is its double-bond isomer estragole, abundant in tarragon (Asteraceae) and basil (Lamiaceae), that has a flavor reminiscent of anise.","experimental_water_solubility":"0.111 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C10428","pubchem_id":"637563","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene","traditional_iupac":"anethole","logp":"2.9389116129999997","pka":null,"alogps_solubility":"1.77e-01 g/l","alogps_logp":"3.40","alogps_logs":"-2.92","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"9.23","refractivity":"47.88100000000001","polarizability":"17.459332423778438","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.822404266999745","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Methoxy-4-(1-propenyl)benzene","1-Methoxy-4-propenylbenzene","1-Propene, 1-(4-methoxyphenyl)-","4-Methoxy-1-propenylbenzene","4-Methoxypropenylbenzene","4-Propenylanisole","Anethol","Anisole, p-propenyl-","Benzene, 1-methoxy-4-(1-propenyl)-","Isoestragole","Kohlenstoff","Methoxy-4-propenylbenzene","methyl 4-(1-propenyl)phenyl ether","p-1-Propenylanisole","p-Propenylanisole","p-Propenylphenyl methyl ether","Propene, 1-(p-methoxyphenyl)-"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}