{"ymdb_id":"YMDB01647","created_at":"2011-08-31T03:31:57.000Z","updated_at":"2016-09-08T18:36:56.000Z","name":"Carvacrol","cas":"89-83-8","state":"Solid","melting_point":"51.5 oC","description":"Carvacrol is phenol obtained from thyme oil or other volatile oils. It is responsible for spearmint aromas.","experimental_water_solubility":"0.9 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"3.30 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"27607","hmdb_id":"HMDB01878","kegg_id":"C09908","pubchem_id":"6989","cs_id":"21105867","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methyl-5-(propan-2-yl)phenol","traditional_iupac":"carvacrol","logp":"3.428111034333333","pka":null,"alogps_solubility":"4.70e-01 g/l","alogps_logp":"3.20","alogps_logs":"-2.50","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"47.270900000000005","polarizability":"17.87955129915772","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.466114337746284","pka_strongest_acidic":"10.422968132468661","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-5-methyl-2-isopropylbenzene","1-Methyl-3-hydroxy-4-isopropylbenzene","2-Hydroxy-1-isopropyl-4-methylbenzene","2-Isopropyl-5-methylphenol","2-Isopropyl-5-methylphenol (thymol)","3-Hydroxy-1-methyl-4-isopropylbenzene","3-Hydroxy-p-cymene","3-Methyl-6-isopropylphenol","3-p-Cymenol","5-Methyl-2-(1-methylethyl)phenol","5-Methyl-2-isopropyl-1-phenol","5-Methyl-2-isopropylphenol","6-Isopropyl-3-methylphenol","6-Isopropyl-m-cresol","6-Isopropyl-p-cresol","Isopropyl cresol","Isopropyl-m-cresol","m-Cresol, 6-isopropyl-","m-Thymol","p-Cymen-3-ol","p-Cymene, 3-hydroxy-","Phenol, 2-isopropyl-5-methyl-","Phenol, 5-methyl-2-(1-methylethyl)-","Thymate","Thyme camphor","Thymic acid","Thymol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}