Phyto4Health

Glycinebetaine

Representations & DB's id

ChEBI: CHEBI:17750
ChEMBL: CHEMBL1182
PubChem: 247
IUPAC: 2-(trimethylazaniumyl)acetate
Standard InChI: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
Standard InChI Key: KWIUHFFTVRNATP-UHFFFAOYSA-N
SMILES: [O-]C(=O)C[N+](C)(C)C

Molecular propeties

AlogP: -1.56
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 0
Molecular Weight: 117.08
Topological polar surface area: 40.1
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
PlantPimpinella saxifraga

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency4 nMThyroid stimulating hormone receptorP16473
Potency4 nMThyroid stimulating hormone receptorP16473
Potency65.1 nMATPase family AAA domain-containing protein 5Q96QE3
Potency168.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency7519.3 nMChromobox protein homolog 1P83916
Ki1900000 nMProton-coupled amino acid transporter 1Q7Z2H8
IC501000000 nMBile salt export pumpO95342