Phyto4Health

Oxedrine

Representations & DB's id
ChEBI: CHEBI:29081
ChEMBL: CHEMBL33720
PubChem: 7172
IUPAC: 4-[1-hydroxy-2-(methylamino)ethyl]phenol
Standard InChI: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
Standard InChI Key: YRCWQPVGYLYSOX-UHFFFAOYSA-N
SMILES: CNCC(c1ccc(cc1)O)O

Molecular propeties
AlogP: 0.64
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 3
Rotatable bonds: 3
Number of rings: 1
Molecular Weight: 167.09
Topological polar surface area: 52.5
Number of aromatic rings: 1
Fsp3: 0.333
Number of carbons: 9

Plant sources

Part of plant Plant name Ref.
ImmaturusCitrus unshiu
PlantEphedra intermedia
PlantEphedra equisetina

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency707.9 nMSurvival motor neuron proteinQ16637
Potency3548.1 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency22387.2 nMAldehyde dehydrogenase 1A1P00352
Potency2.8 nMBloom syndrome proteinP54132
Potency10000 nMThrombopoietinP40225
Potency2.8 nMBloom syndrome proteinP54132
Potency10000 nMThrombopoietinP40225
Potency22.4 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency70794.6 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency11220.2 nMGlutaminase kidney isoform, mitochondrialO94925
Potency3981.1 nMGlucagon-like peptide 1 receptorP43220
Potency42163.2 nMInterleukin-8P10145
Potency2660.3 nMNuclear receptor ROR-gammaP51449
Potency1778.3 nMGlucagon-like peptide 1 receptorP43220
EC506600 nMNeuromedin-U receptor 2Q9GZQ4