Methyl 2-iodobenzoate
| Internal ID | d49543f6-05c1-4405-97e8-66614c4ef34c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | methyl 2-iodobenzoate |
| SMILES (Canonical) | COC(=O)C1=CC=CC=C1I |
| SMILES (Isomeric) | COC(=O)C1=CC=CC=C1I |
| InChI | InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChI Key | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| Popularity | 82 references in papers |
| Molecular Formula | C8H7IO2 |
| Molecular Weight | 262.04 g/mol |
| Exact Mass | 261.94908 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.70 |
| 610-97-9 |
| 2-Iodobenzoic acid methyl ester |
| Methyl o-iodobenzoate |
| Benzoic acid, 2-iodo-, methyl ester |
| Methyl-2-iodobenzoate |
| 2-Iodo-Benzoic Acid Methyl Ester |
| Benzoic acid, o-iodo-, methyl ester |
| HCW7KL2LZN |
| MFCD00016351 |
| NSC-34638 |
| 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 |
|---|---|---|---|---|---|
| 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 | 92.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.72% | 98.75% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 83.28% | 90.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.06% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.10% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.06% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.57% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.40% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 69132 |
| LOTUS | LTS0222221 |
| wikiData | Q72492093 |