Phyto4Health

Methyl Tetradecanoate

Representations & DB's id

ChEBI: CHEBI:89199
ChEMBL: CHEMBL207549
PubChem: 31284
IUPAC: methyl tetradecanoate
Standard InChI: InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
Standard InChI Key: ZAZKJZBWRNNLDS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCC(=O)OC

Molecular propeties

AlogP: 4.86
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 12
Number of rings: 0
Molecular Weight: 242.22
Topological polar surface area: 26.3
Number of aromatic rings: 0
Fsp3: 0.933
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency61130.6 nMNuclear factor erythroid 2-related factor 2Q16236