1.0 2016-09-30 23:10:49 UTC 2020-04-22 15:14:13 UTC BMDB0004826 BMDB04826 p-Synephrine (+/-)-synephrine 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol 1-(4-Hydroxyphenyl)-2-methylaminoethanol 4-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol Oxedrine p-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol Sympatol -Synephrine 4-Hydroxy-a-[(methylamino)methyl]benzenemethanol 4-Hydroxy-α-[(methylamino)methyl]benzenemethanol b-Methylamino-a-(4-hydroxyphenyl)ethyl alcohol Β-methylamino-α-(4-hydroxyphenyl)ethyl alcohol p-Hydroxy-a-[(methylamino)methyl]benzyl alcohol p-Hydroxy-α-[(methylamino)methyl]benzyl alcohol (+)-P-Synephrine (+)-Synephrine (+)-[(methylamino)Methyl]-benzenemethano Analeptin Parasympatol Simpalon Simpatol Sympaethamin Sympaethamine Synephrine Synephrin C9H13NO2 167.205 167.094628665 4-[1-hydroxy-2-(methylamino)ethyl]phenol synephrine 94-07-5 CNCC(O)C1=CC=C(O)C=C1 InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,2-aminoalcohols Aralkylamines Aromatic alcohols Benzene and substituted derivatives Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds ethanolamines phenethylamine alkaloid phenols Solid logp -0.45 HANSCH,C ET AL. (1995) logp -0.62 ALOGPS logs -0.95 ALOGPS logp -0.071 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic 9.15 ChemAxon iupac 4-[1-hydroxy-2-(methylamino)ethyl]phenol ChemAxon average_mass 167.205 ChemAxon mono_mass 167.094628665 ChemAxon smiles CNCC(O)C1=CC=C(O)C=C1 ChemAxon formula C9H13NO2 ChemAxon inchi InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 ChemAxon inchikey YRCWQPVGYLYSOX-UHFFFAOYSA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 47.25 ChemAxon polarizability 18.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 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 Specdb::MsIr 2257 Specdb::MsIr 2258 Specdb::MsIr 2259 Specdb::NmrOneD 54662 Specdb::NmrOneD 54663 Specdb::NmrOneD 54664 Specdb::NmrOneD 54665 Specdb::NmrOneD 54666 Specdb::NmrOneD 54667 Specdb::NmrOneD 54668 Specdb::NmrOneD 54669 Specdb::NmrOneD 54670 Specdb::NmrOneD 54671 Specdb::NmrOneD 54672 Specdb::NmrOneD 54673 Specdb::NmrOneD 54674 Specdb::NmrOneD 54675 Specdb::NmrOneD 54676 Specdb::NmrOneD 54677 Specdb::NmrOneD 54678 Specdb::NmrOneD 54679 Specdb::NmrOneD 54680 Specdb::NmrOneD 54681 Specdb::CMs 1480 Specdb::CMs 11610 Specdb::CMs 31527 Specdb::CMs 31895 Specdb::CMs 31896 Specdb::CMs 31897 Specdb::CMs 38817 Specdb::CMs 165051 Specdb::MsMs 11219 Specdb::MsMs 11220 Specdb::MsMs 11221 Specdb::MsMs 17891 Specdb::MsMs 17892 Specdb::MsMs 17893 Specdb::MsMs 439576 Specdb::MsMs 439577 Specdb::MsMs 449640 Specdb::MsMs 449641 Specdb::MsMs 2229348 Specdb::MsMs 2230127 Specdb::MsMs 2252968 Specdb::MsMs 2253521 Specdb::MsMs 2255001 Specdb::MsMs 2255564 Specdb::MsMs 2256939 Specdb::MsMs 2257673 Specdb::MsMs 2258944 Specdb::MsMs 2259612 Specdb::MsMs 2441083 Specdb::MsMs 2441084 Specdb::MsMs 2441085 Specdb::MsMs 2524272 Specdb::MsMs 2524273 Blood Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB001397 6904 29081 7172 DB09203 C04548 C00051735 Synephrine 7088