Phyto4Health

Prop-2-Yn-1-Ol

Representations & DB's id

ChEBI: CHEBI:28905
ChEMBL: CHEMBL1563026
PubChem: 7859
IUPAC: prop-2-yn-1-ol
Standard InChI: InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
Standard InChI Key: TVDSBUOJIPERQY-UHFFFAOYSA-N
SMILES: OCC#C

Molecular propeties

AlogP: -0.39
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 0
Molecular Weight: 56.03
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.333
Number of carbons: 3

Plant sources

Part of plant Plant name Ref.
FructusFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency22387.2 nMAldehyde dehydrogenase 1A1P00352
Potency26603.2 nMNuclear factor erythroid 2-related factor 2Q16236