2-Hydroxybenzyl 2'-methoxybenzoate

Details

• Internal ID: 78e7080b-40e5-44c8-8155-b302197c2988
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters > o-Hydroxybenzoic acid esters
• IUPAC Name: (2-methoxyphenyl)methyl 2-hydroxybenzoate
• SMILES (Canonical): COC1=CC=CC=C1COC(=O)C2=CC=CC=C2O
• SMILES (Isomeric): COC1=CC=CC=C1COC(=O)C2=CC=CC=C2O
• InChI: InChI=1S/C15H14O4/c1-18-14-9-5-2-6-11(14)10-19-15(17)12-7-3-4-8-13(12)16/h2-9,16H,10H2,1H3
• InChI Key: YLHAQKVIXLQIFW-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27 g/mol
• Exact Mass: 258.08920892 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.40

Synonyms

• 2-hydroxybenzyl 2'-methoxybenzoate
• 2-methoxybenzyl-2-hydroxy benzoate

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.06%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.73%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.14%	98.95%
CHEMBL2535	P11166	Glucose transporter	92.97%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.87%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.04%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.66%	95.50%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.16%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.00%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.13%	89.62%
CHEMBL4208	P20618	Proteasome component C5	82.95%	90.00%
CHEMBL2321614	Q9NPC2	Potassium channel subfamily K member 9	80.69%	80.00%

Plants that contains it

• Brickellia veronicaefolia
• Brickellia veronicifolia

Cross-Links

• PubChem: 7798110
• LOTUS: LTS0215998
• wikiData: Q103815803