1.0 2020-05-05 15:49:11 UTC 2020-05-05 18:40:47 UTC BMDB0109652 Methoxamine Methoxamedrine Methoxamin Vasoxyl Glaxo wellcome brand 2 OF methoxamine hydrochloride Methoxamine hydrochloride Vasylox Glaxo wellcome brand 1 OF methoxamine hydrochloride Vasoxin Vasoxine Wellcome brand OF methoxamine hydrochloride Hydrochloride, methoxamine Methoxamedrin Metoxamine wellcome Wellcome, metoxamine C11H17NO3 211.2576 211.120843415 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol methoxamine 390-28-3 COC1=CC(C(O)C(C)N)=C(OC)C=C1 InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Dimethoxybenzenes 1,2-aminoalcohols Alkyl aryl ethers Anisoles Aralkylamines Aromatic alcohols Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Phenoxy compounds Phenylpropanes Secondary alcohols 1,2-aminoalcohol Alcohol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Dimethoxybenzene Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-dimethoxybenzene Phenol ether Phenoxy compound Phenylpropane Primary aliphatic amine Primary amine Secondary alcohol Aromatic homomonocyclic compounds amphetamines logp 0.41 ALOGPS logs -1.36 ALOGPS logp 0.57 ChemAxon pka_strongest_acidic 13.61 ChemAxon pka_strongest_basic 9.28 ChemAxon iupac 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol ChemAxon average_mass 211.2576 ChemAxon mono_mass 211.120843415 ChemAxon smiles COC1=CC(C(O)C(C)N)=C(OC)C=C1 ChemAxon formula C11H17NO3 ChemAxon inchi InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 ChemAxon inchikey WJAJPNHVVFWKKL-UHFFFAOYSA-N ChemAxon polar_surface_area 64.71 ChemAxon refractivity 57.84 ChemAxon polarizability 22.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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::CMs 11760 Specdb::CMs 32181 Specdb::CMs 32182 Specdb::CMs 40471 Specdb::CMs 100180 Specdb::CMs 100181 Specdb::CMs 136018 Specdb::CMs 143752 Specdb::NmrOneD 12542 Specdb::NmrOneD 12543 Specdb::NmrOneD 12544 Specdb::NmrOneD 12545 Specdb::NmrOneD 12546 Specdb::NmrOneD 12547 Specdb::NmrOneD 12548 Specdb::NmrOneD 12549 Specdb::NmrOneD 12550 Specdb::NmrOneD 12551 Specdb::NmrOneD 12552 Specdb::NmrOneD 12553 Specdb::NmrOneD 12554 Specdb::NmrOneD 12555 Specdb::NmrOneD 12556 Specdb::NmrOneD 12557 Specdb::NmrOneD 12558 Specdb::NmrOneD 12559 Specdb::NmrOneD 12560 Specdb::NmrOneD 12561 Specdb::MsMs 100815 Specdb::MsMs 100816 Specdb::MsMs 100817 Specdb::MsMs 166260 Specdb::MsMs 166261 Specdb::MsMs 166262 Specdb::MsMs 446620 Specdb::MsMs 446621 Specdb::MsMs 446622 Specdb::MsMs 446623 Specdb::MsMs 446624 Specdb::MsMs 447244 Specdb::MsMs 2237260 Specdb::MsMs 2242014 Specdb::MsMs 2243836 Specdb::MsMs 2244445 Specdb::MsMs 2245678 Specdb::MsMs 2246517 Specdb::MsMs 2247755 Specdb::MsMs 2248641 Specdb::MsMs 2250683 Specdb::MsMs 3218713 Specdb::MsMs 3218714 Specdb::MsMs 3218715 Specdb::MsMs 3218716 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 DB00723 5857 6839 6082 C07513 Methoxamine