Phyto4Health

Methyleugenol

Representations & DB's id

ChEBI: CHEBI:4918
ChEMBL: CHEMBL108861
PubChem: 7127
IUPAC: 1,2-dimethoxy-4-prop-2-enylbenzene
Standard InChI: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
Standard InChI Key: ZYEMGPIYFIJGTP-UHFFFAOYSA-N
SMILES: C=CCc1ccc(c(c1)OC)OC

Molecular propeties

AlogP: 2.43
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 4
Number of rings: 1
Molecular Weight: 178.1
Topological polar surface area: 18.5
Number of aromatic rings: 1
Fsp3: 0.273
Number of carbons: 11

Plant sources

Part of plant Plant name Ref.
RhizomaAcorus calamus
RadixPolygala sibirica
PlantPolygala tenuifolia
PlantOcimum gratissimum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMAldehyde dehydrogenase 1A1P00352
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency25918.5 nMATPase family AAA domain-containing protein 5Q96QE3
Potency33491.5 nMNuclear factor erythroid 2-related factor 2Q16236