4-acryloylphenol   

GtoPdb Ligand ID: 8841

Synonyms: compound 6 [1]
Compound class: Synthetic organic
Comment: 4-acryloylphenol inhibits GABA transaminase (GABA-T; ABAT) and succinic semialdehyde dehydrogenase (SSADH; ALDH5A1) [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 148.05
XLogP 1.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C=CC(=O)c1ccc(cc1)O
Isomeric SMILES C=CC(=O)c1ccc(cc1)O
InChI InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2
InChI Key NKPPNPJUBLEKAD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms
compound 6 [1]
Comments
4-acryloylphenol inhibits GABA transaminase (GABA-T; ABAT) and succinic semialdehyde dehydrogenase (SSADH; ALDH5A1) [1].
Database Links
ChEMBL Ligand CHEMBL378577
GtoPdb PubChem SID 252827498
PubChem CID 16036927
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