3-(2-Hydroxyphenyl)prop-2-enyl acetate

Details

• Internal ID: 101f54ad-6bca-44c1-bb76-35d0ac8974b2
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: 3-(2-hydroxyphenyl)prop-2-enyl acetate
• SMILES (Canonical): CC(=O)OCC=CC1=CC=CC=C1O
• SMILES (Isomeric): CC(=O)OCC=CC1=CC=CC=C1O
• InChI: InChI=1S/C11H12O3/c1-9(12)14-8-4-6-10-5-2-3-7-11(10)13/h2-7,13H,8H2,1H3
• InChI Key: LVVKBEYERXTDCU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21 g/mol
• Exact Mass: 192.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.90

Synonyms

There are no found synonyms.

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	97.45%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.75%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.48%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.64%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.76%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.73%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	87.54%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.71%	99.17%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	82.72%	94.62%

Plants that contains it

• Cryptocarya amygdalina

Cross-Links

• PubChem: 77162741
• LOTUS: LTS0212894
• wikiData: Q105158077