Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester

Details

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Internal ID 918683e5-05f3-4cfe-b4f7-16c017d8587f
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives
IUPAC Name ethyl 2-hydroxy-4-methoxy-6-methylbenzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O4/c1-4-15-11(13)10-7(2)5-8(14-3)6-9(10)12/h5-6,12H,4H2,1-3H3
InChI Key PJOOIAZRUIIQMU-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O4
Molecular Weight 210.23 g/mol
Exact Mass 210.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.70

Synonyms

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6110-36-7
ETHYL EVERNINATE
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester
2-Hydroxy-4-methoxy-6-methyl-benzoic acid ethyl ester
Ethyl 4-methoxy-6-methylsalicylate
KBio3_001212
EINECS 228-073-6
Spectrum2_000684
Spectrum3_000266
Spectrum4_000952
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 94.76% 96.09%
CHEMBL4208 P20618 Proteasome component C5 88.90% 90.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.47% 93.65%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.08% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.67% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 86.85% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.80% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.56% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.64% 96.95%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.34% 91.07%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.27% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.73% 86.33%
CHEMBL2581 P07339 Cathepsin D 82.07% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.94% 97.21%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.62% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.32% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 80201
LOTUS LTS0056645
wikiData Q27187507