Phyto4Health

2-Methylfuran

Representations & DB's id

ChEBI: CHEBI:88912
ChEMBL: CHEMBL1445555
PubChem: 10797
IUPAC: 2-methylfuran
Standard InChI: InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
Standard InChI Key: VQKFNUFAXTZWDK-UHFFFAOYSA-N
SMILES: Cc1ccco1

Molecular propeties

AlogP: 1.59
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 82.04
Topological polar surface area: 13.1
Number of aromatic rings: 1
Fsp3: 0.2
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
RubraPanax ginseng
FructusCapsicum annuum
PlantGossypium herbaceum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency3.2 nMCellular tumor antigen p53P04637
Potency74978 nMNuclear factor erythroid 2-related factor 2Q16236
Potency13333.2 nMNuclear receptor ROR-gammaP51449