Methyl 4-methoxybenzoate
Internal ID | bc0daaee-36a3-4fd1-abdb-1276a2632037 |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
IUPAC Name | methyl 4-methoxybenzoate |
SMILES (Canonical) | COC1=CC=C(C=C1)C(=O)OC |
SMILES (Isomeric) | COC1=CC=C(C=C1)C(=O)OC |
InChI | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
InChI Key | DDIZAANNODHTRB-UHFFFAOYSA-N |
Popularity | 138 references in papers |
Molecular Formula | C9H10O3 |
Molecular Weight | 166.17 g/mol |
Exact Mass | 166.062994177 g/mol |
Topological Polar Surface Area (TPSA) | 35.50 Ų |
XlogP | 2.30 |
121-98-2 |
Methyl p-anisate |
Methyl anisate |
Methyl p-methoxybenzoate |
Methyl 4-Anisate |
4-Methoxybenzoic acid methyl ester |
Benzoic acid, 4-methoxy-, methyl ester |
p-Anisic acid, methyl ester |
p-Methoxybenzoic acid methyl ester |
p-Anisic acid methyl ester |
There are more than 10 synonyms. If you wish to see them all click here. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL261 | P00915 | Carbonic anhydrase I |
3840 nM |
Ki |
PMID: 21402476
|
CHEMBL205 | P00918 | Carbonic anhydrase II |
3530 nM |
Ki |
PMID: 21402476
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL4208 | P20618 | Proteasome component C5 | 94.70% | 90.00% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.28% | 81.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.41% | 96.09% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.13% | 87.67% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.79% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.76% | 91.11% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.84% | 90.17% |
CHEMBL2535 | P11166 | Glucose transporter | 83.57% | 98.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.27% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.45% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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PubChem | 8499 |
NPASS | NPC220540 |
ChEMBL | CHEMBL1762668 |
LOTUS | LTS0113372 |
wikiData | Q6823933 |