Molecule ID: 637759

IUPAC Name: (E)-4-phenylbut-3-en-2-one

Description: The molecule is the trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth. It has a role as a flavouring agent, a fragrance, a bacterial metabolite and an EC 3.1.1.4 (phospholipase A2) inhibitor.

SMILES: CC(=O)/C=C/c1ccccc1

SELFIES: [C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.1