Benzoic acid, 2,6-dimethoxy-, (3-methoxyphenyl)methyl ester
| Internal ID | 34428b7b-3852-4b00-b797-8f10991503ee |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > O-methoxybenzoic acids and derivatives |
| IUPAC Name | (3-methoxyphenyl)methyl 2,6-dimethoxybenzoate |
| SMILES (Canonical) | COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC |
| SMILES (Isomeric) | COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC |
| InChI | InChI=1S/C17H18O5/c1-19-13-7-4-6-12(10-13)11-22-17(18)16-14(20-2)8-5-9-15(16)21-3/h4-10H,11H2,1-3H3 |
| InChI Key | DZDQHOAIKWCQDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.60 |
| Benzoic acid, 2,6-dimethoxy-, (3-methoxyphenyl)methyl ester |
| DTXSID80468806 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 98.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.65% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.75% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.27% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.38% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.94% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.48% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.41% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.47% | 92.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.42% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.81% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.01% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.08% | 90.17% |
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.
To see more specific details click the taxa you are interested in.
| Brickellia veronicifolia |
| PubChem | 11573031 |
| LOTUS | LTS0137455 |
| wikiData | Q82296225 |