Phyto4Health

Methyl Decanoate

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2137647
PubChem: 8050
IUPAC: methyl decanoate
Standard InChI: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
Standard InChI Key: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)OC

Molecular propeties

AlogP: 3.3
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 8
Number of rings: 0
Molecular Weight: 186.16
Topological polar surface area: 26.3
Number of aromatic rings: 0
Fsp3: 0.909
Number of carbons: 11

Plant sources

Part of plant Plant name Ref.
StrobilusHumulus lupulus

In vitro data

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