Phyto4Health

(E)-Pent-3-Enenitrile

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1322495
PubChem: 5324707
IUPAC: (E)-pent-3-enenitrile
Standard InChI: InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
Standard InChI Key: UVKXJAUUKPDDNW-NSCUHMNNSA-N
SMILES: C/C=C/CC#N

Molecular propeties

AlogP: 1.48
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 1
Number of rings: 0
Molecular Weight: 81.06
Topological polar surface area: 23.8
Number of aromatic rings: 0
Fsp3: 0.4
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
PlantBrassica juncea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency35481.3 nMHistone acetyltransferase GCN5Q92830
Potency37578 nMNuclear factor erythroid 2-related factor 2Q16236