4-Hydroxy-3-(3-methylbut-2-enyl)benzamide

Details

• Internal ID: a720e00f-8e5b-419f-a2c9-8c6ec4200ea9
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides
• IUPAC Name: 4-hydroxy-3-(3-methylbut-2-enyl)benzamide
• SMILES (Canonical): CC(=CCC1=C(C=CC(=C1)C(=O)N)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC(=C1)C(=O)N)O)C
• InChI: InChI=1S/C12H15NO2/c1-8(2)3-4-9-7-10(12(13)15)5-6-11(9)14/h3,5-7,14H,4H2,1-2H3,(H2,13,15)
• InChI Key: QNVCSEHOSAXKCK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.25 g/mol
• Exact Mass: 205.110278721 g/mol
• Topological Polar Surface Area (TPSA): 63.30 Ų
• XlogP: 2.40

Synonyms

• RefChem:99183
• SCHEMBL20402834
• CHEBI:214109

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.55%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.63%	86.33%
CHEMBL4208	P20618	Proteasome component C5	88.32%	90.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.93%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.39%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	86.87%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.65%	95.56%
CHEMBL2581	P07339	Cathepsin D	85.00%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.12%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.48%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102113939
• LOTUS: LTS0020253
• wikiData: Q77496468