Phyto4Health

Pseudoephedrine

Representations & DB's id

ChEBI: CHEBI:51209
ChEMBL: CHEMBL1590
PubChem: 7028
IUPAC: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
Standard InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
Standard InChI Key: KWGRBVOPPLSCSI-WCBMZHEXSA-N
SMILES: CN[C@H]([C@H](c1ccccc1)O)C

Molecular propeties

AlogP: 1.33
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 3
Number of rings: 1
Molecular Weight: 165.12
Topological polar surface area: 32.3
Number of aromatic rings: 1
Fsp3: 0.4
Number of carbons: 10

Plant sources

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

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency28183.8 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency631 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency39810.7 nMAlpha-galactosidase AP06280
Potency125.9 nMThyroid stimulating hormone receptorP16473
Potency1584.9 nMCytochrome P450 2C19P33261
Potency25118.9 nMAlpha-galactosidase AP06280
Potency7943.3 nMPyruvate kinase isozymes M1/M2P14618
Potency398.1 nMArachidonate 15-lipoxygenaseP16050
Potency3162.3 nMArachidonate 12-lipoxygenaseP18054
Potency7943.3 nMPyruvate kinase isozymes M1/M2P14618
Potency28183.8 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency3162.3 nMThrombopoietinP40225
Potency1584.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency12589.3 nMCytochrome P450 2D6P10635
Potency19952.6 nMCytochrome P450 3A4P08684
Potency19952.6 nMCytochrome P450 3A4P08684
Potency794.3 nMCytochrome P450 2C9P11712
Potency3162.3 nMThrombopoietinP40225
Potency631 nMArachidonate 15-lipoxygenase, type IIO15296
Others2 %Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1Q92835
Others13 %Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2O15357