Molecule

UNPD64840

AlkaPlorer ID: AK325253

Synonym: None

IUPAC Name: (E)-2-methyl-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]but-2-enamide

SMILES: C/C=C(\C)C(O)=NCCC1=CC=C(OCC=C(C)C)C=C1

InChI: InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+

InChIKey: VKVSQOIICDPVQR-PJQLUOCWSA-N

PubChem CID: 101683175

LOTUS: LTS0228268

SuperNatural Ⅲ: SN0393000-01

NPASS: NPC69426

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alternaria cinerariae	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Adenophora triphylla	Adenophora	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boronia megastigma	Boronia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vibrio gazogenes	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Tor sinensis	Tor	Cyprinidae	Cypriniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Pseudoceratina purpurea	Pseudoceratina	Pseudoceratinidae	Verongiida	Demospongiae	Porifera	Metazoa	Eukaryota
Gonioma kamassi	Gonioma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum anguivi	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carpolobia lutea	Carpolobia	Polygalaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Teucrium massiliense	Teucrium	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 287.403

TPSA？: 41.82000000000001

MolLogP？: 4.496800000000004

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	IC50	195000.0	nM	10.1016/j.ejmech.2022.114282