[1-(3,4-Dihydroxyphenyl)-2-hydroxyethyl] acetate

Details

• Internal ID: 521044bf-e825-4483-a4a2-45351016e7c9
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls
• IUPAC Name: [1-(3,4-dihydroxyphenyl)-2-hydroxyethyl] acetate
• InChI: InChI=1S/C10H12O5/c1-6(12)15-10(5-11)7-2-3-8(13)9(14)4-7/h2-4,10-11,13-14H,5H2,1H3
• InChI Key: BWJLBVFLYBXUBY-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O₅
• Molecular Weight: 212.20 g/mol
• Exact Mass: 212.06847348 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: -0.40

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	97.79%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.89%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.62%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.40%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.40%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.06%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	86.07%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.72%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	84.06%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.52%	86.33%

Plants that contains it

• Syringa reticulata

Cross-Links

• PubChem: 74950412
• LOTUS: LTS0166226
• wikiData: Q104947275