1.0 2016-09-30 23:07:34 UTC 2020-05-21 16:28:47 UTC BMDB0004063 BMDB04063 Metanephrine Metanephrine, also known as metanephrine, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Metanephrine is possibly soluble (in water) and a very strong basic compound (based on its pKa). Metanephrine participates in a number of enzymatic reactions, within cattle. In particular, Metanephrine can be converted into 3-methoxy-4-hydroxyphenylglycolaldehyde; which is mediated by the enzyme amine oxidase [flavin-containing] a. In addition, Metanephrine and pyrocatechol can be biosynthesized from epinephrine and guaiacol; which is mediated by the enzyme catechol O-methyltransferase. In cattle, metanephrine is involved in the metabolic pathway called the tyrosine metabolism pathway. (+/-)-metanephrine 3-Methoxy-adrenaline 3-Methoxyadrenaline 3-O-Methyl-adrenaline 3-O-Methylepinephrine 4-Hydroxy-3-methoxy-N-methylphenethanolamine DL-3-O-Methyladrenaline DL-Metanephrine m-O-Methyladrenaline Metadrenaline C10H15NO3 197.231 197.105193351 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol (+/-)-metanephrine 5001-33-2 CNCC(O)C1=CC(OC)=C(O)C=C1 InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3 JWJCTZKFYGDABJ-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Organic compounds Benzenoids Phenols Methoxyphenols Methoxyphenols 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Aromatic alcohols Dialkylamines Hydrocarbon derivatives Methoxybenzenes Organopnictogen compounds Phenoxy compounds Secondary alcohols 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds a guaiacol Solid logp -0.27 ALOGPS logs -1.18 ALOGPS logp -0.00068 ChemAxon pka_strongest_acidic 10.05 ChemAxon pka_strongest_basic 9.25 ChemAxon iupac 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol ChemAxon average_mass 197.231 ChemAxon mono_mass 197.105193351 ChemAxon smiles CNCC(O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C10H15NO3 ChemAxon inchi InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3 ChemAxon inchikey JWJCTZKFYGDABJ-UHFFFAOYSA-N ChemAxon polar_surface_area 61.72 ChemAxon refractivity 53.71 ChemAxon polarizability 21.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Tyrosine Metabolism SMP0087235 Specdb::MsIr 2105 Specdb::MsIr 2106 Specdb::MsIr 2107 Specdb::CMs 1630 Specdb::CMs 17167 Specdb::CMs 31497 Specdb::CMs 38700 Specdb::CMs 153029 Specdb::MsMs 69450 Specdb::MsMs 69451 Specdb::MsMs 69452 Specdb::MsMs 127734 Specdb::MsMs 127735 Specdb::MsMs 127736 Specdb::MsMs 2314805 Specdb::MsMs 2314806 Specdb::MsMs 2314807 Specdb::MsMs 2620034 Specdb::MsMs 2620035 Specdb::MsMs 2620036 Specdb::NmrOneD 41462 Specdb::NmrOneD 41463 Specdb::NmrOneD 41464 Specdb::NmrOneD 41465 Specdb::NmrOneD 41466 Specdb::NmrOneD 41467 Specdb::NmrOneD 41468 Specdb::NmrOneD 41469 Specdb::NmrOneD 41470 Specdb::NmrOneD 41471 Specdb::NmrOneD 41472 Specdb::NmrOneD 41473 Specdb::NmrOneD 41474 Specdb::NmrOneD 41475 Specdb::NmrOneD 41476 Specdb::NmrOneD 41477 Specdb::NmrOneD 41478 Specdb::NmrOneD 41479 Specdb::NmrOneD 41480 Specdb::NmrOneD 41481 Adrenal Gland Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Adrenal Medulla Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023296 19844 C05588 21100 144365 46078 Metanephrine 65 BMDBP00421 Catechol O-methyltransferase A7MBI7 COMT Enzyme BMDBP00890 Amine oxidase [flavin-containing] A P21398 MAOA Enzyme