{"ymdb_id":"YMDB00971","created_at":"2011-06-03T16:32:33.000Z","updated_at":"2016-09-08T18:36:06.000Z","name":"4-methylumbelliferone","cas":"90-33-5","state":"Solid","melting_point":"195.5 oC","description":"4-Methylumbelliferone is the 4-methyl derivative form of umbelliferone. Umbelliferone, also known as 7-hydroxycoumarin, is a widespread natural product of the coumarin family. It occurs in many familiar plants from the Apiaceae family such as carrot and coriander.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"1.90 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17224","hmdb_id":null,"kegg_id":"C03081","pubchem_id":"5280567","cs_id":"4444190","foodb_id":null,"wikipedia_link":"4-methylumbelliferone","biocyc_id":"CPD-182","iupac":"7-hydroxy-4-methyl-2H-chromen-2-one","traditional_iupac":"4-methylumbelliferone","logp":"1.7791888986666664","pka":null,"alogps_solubility":"1.99e+00 g/l","alogps_logp":"2.19","alogps_logs":"-1.95","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"46.53","refractivity":"47.81150000000001","polarizability":"17.41709365802293","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.950886758662731","pka_strongest_acidic":"7.800072891159978","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-","2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-","4-Methyl-7-Hydroxycoumarin","4-Methylumbelliferon","4-Methylumbelliferone","7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran","7-Hydroxy-4-methyl-2-oxo-3-chromene","7-Hydroxy-4-methyl-2H-1-benzopyran-2-one","7-Hydroxy-4-methyl-2H-chromen-2-one","7-Hydroxy-4-methylcoumarin","beta-Methylumbelliferone","Bilcolic","Bilicante","Biliton H","CantabbY","Cantabilin","Cantabiline","Cholestil","Cholonerton","Cholspasmin","Coumarin, 7-hydroxy-4-methyl-","Crodimon","Cumarote-C","Eurogale","Himecol","Hymecromon","Hymecromone","Imecromone","Imecromonoe","Medilla","Mendiaxon","METHYLUMBELLIFERONE, \u0026beta;","Methylumbelliferone, beta","Umbelliferone, 4-methyl-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":16108792,"citation":"Fia, G., Giovani, G., Rosi, I. (2005). \"Study of beta-glucosidase production by wine-related yeasts during alcoholic fermentation. A new rapid fluorimetric method to determine enzymatic activity.\" J Appl Microbiol 99:509-517."}],"proteins":[{"created_at":"2011-05-27T03:00:57.000Z","updated_at":"2011-05-29T14:01:22.000Z","name":"S-formylglutathione hydrolase","uniprot_id":"P40363","uniprot_name":"SFGH_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":299,"molecular_weight":"33934.0","theoretical_pi":"6.7","general_function":"Involved in carboxylesterase activity","specific_function":"Serine hydrolase involved in the detoxification of formaldehyde","reactions":[{"id":1958,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2702,"direction":"\u003e","locations":"Cytoplasm","altext":"S-formylglutathione + H(2)O = glutathione + formate.","export":false,"pw_reaction_id":null,"source":null},{"id":2703,"direction":"\u003e","locations":"Cytoplasm","altext":"4-methylumbelliferyl acetate + H2O = 4-methylumbelliferone + acetate","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1PV1","cellular_location":"Cytoplasm","genbank_gene_id":"X88851","genbank_protein_id":"895893","gene_card_id":null,"chromosome_location":null,"locus":"YJL068C","synonyms":["FGH"],"enzyme_classes":["3.1.2.12","3.1.1.56"],"go_classes":[{"category":"Component","description":" cytoplasmic membrane-bounded vesicle"},{"category":"Component","description":" organelle"},{"category":"Component","description":" vesicle"},{"category":"Component","description":" cytoplasmic vesicle"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" carboxylesterase activity"},{"category":"Function","description":" thiolester hydrolase activity"},{"category":"Function","description":" S-formylglutathione hydrolase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Esterase","identifier":"PF00756"}],"pathways":[{"name":"Methane metabolism","kegg_map_id":"00680"}],"gene_sequence":"GATCAAGTTGTCACATAACTCGAACTCTACCAAGACCAGCATGAACGTCAATATCTATTTGCCTAAGCACTATTACGCCCAAGATTTTCCAAGAAATAAGCGTATCCCAACTGTGTTTTACCTTTCTGGCTTGACGTGCACGCCAGACAACGCCTCTGAGAAGGCTTTTTGGCAGTTTCAAGCTGACAAGTACGGATTTGCAATAGTCTTTCCGGATACGTCCCCACGTGGTGACGAAGTAGCCAATGATCCTGAGGGCTCCTGGGATTTTGGACAGGGCGCCGGATTCTATCTAAATGCCACCCAAGAACCATACGCCCAACATTACCAGATGTACGACTACATTCACAAAGAACTCCCACAAACATTAGATTCTCATTTTAACAAGAACGGTGACGTAAAGCTGGACTTCTTGGACAATGTTGCCATCACAGGCCATTCGATGGGGGGATATGGTGCAATTTGTGGGTATTTGAAGGGCTATTCCGGAAAGAGATACAAATCTTGTTCTGCCTTCGCCCCTATCGTGAACCCTTCCAACGTTCCCTGGGGTCAAAAAGCGTTTAAAGGTTATCTGGGCGAAGAAAAAGCCCAGTGGGAAGCGTACGACCCATGTTTATTAATCAAGAATATTAGACATGTGGGCGACGACAGAATTTTGATCCATGTAGGAGACTCCGATCCCTTTTTGGAAGAACACTTGAAACCGGAATTACTACTTGAGGCGGTGAAAGCCACTTCATGGCAGGACTACGTGGAAATAAAAAAAGTTCACGGCTTTGATCACTCCTATTACTTTGTCAGCACTTTCGTTCCAGAACATGCTGAATTTCATGCGCGAAACTTGGGTTTGATTTGA","protein_sequence":"MKVVKEFSVCGGRLIKLSHNSNSTKTSMNVNIYLPKHYYAQDFPRNKRIPTVFYLSGLTCTPDNASEKAFWQFQADKYGFAIVFPDTSPRGDEVANDPEGSWDFGQGAGFYLNATQEPYAQHYQMYDYIHKELPQTLDSHFNKNGDVKLDFLDNVAITGHSMGGYGAICGYLKGYSGKRYKSCSAFAPIVNPSNVPWGQKAFKGYLGEEKAQWEAYDPCLLIKNIRHVGDDRILIHVGDSDPFLEEHLKPELLLEAVKATSWQDYVEIKKVHGFDHSYYFVSTFVPEHAEFHARNLGLI"}]}