Methyl 4-hydroxy-3-(4-methoxycarbonylphenoxy)benzoate

Details

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Internal ID 286653e2-2c52-4249-ac14-f42b5d63fad8
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylethers
IUPAC Name methyl 4-hydroxy-3-(4-methoxycarbonylphenoxy)benzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O6/c1-20-15(18)10-3-6-12(7-4-10)22-14-9-11(16(19)21-2)5-8-13(14)17/h3-9,17H,1-2H3
InChI Key CQCOTVWRFOWWDM-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 82.10 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 4-hydroxy-3-(4-methoxycarbonylphenoxy)benzoate

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.41% 91.11%
CHEMBL4208 P20618 Proteasome component C5 96.14% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.28% 99.17%
CHEMBL3194 P02766 Transthyretin 91.79% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 89.44% 91.49%
CHEMBL2535 P11166 Glucose transporter 88.74% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.00% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.16% 86.33%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 83.53% 94.42%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.88% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.60% 99.15%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.76% 91.07%

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 10957612
LOTUS LTS0138030
wikiData Q104967914