Methyl Salicylate
| Internal ID | 3c01dbd5-ca4c-479d-86dd-7ee775987f58 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters > o-Hydroxybenzoic acid esters |
| IUPAC Name | methyl 2-hydroxybenzoate |
| SMILES (Canonical) | COC(=O)C1=CC=CC=C1O |
| SMILES (Isomeric) | COC(=O)C1=CC=CC=C1O |
| InChI | InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3 |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Popularity | 5,441 references in papers |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 g/mol |
| Exact Mass | 152.047344113 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.30 |
| Methyl 2-hydroxybenzoate |
| 119-36-8 |
| Analgit |
| 2-Carbomethoxyphenol |
| 2-Hydroxybenzoic acid methyl ester |
| Gaultheriaoel |
| Wintergruenoel |
| Flucarmit |
| Betula |
| Exagien |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
794.3 nM 794.3 nM |
Potency Potency |
via CMAUP
via Super-PRED |
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
3981.1 nM 3981.1 nM |
Potency Potency |
via CMAUP
via CMAUP |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.11% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.00% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.62% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.08% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.21% | 95.56% |
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.
| PubChem | 4133 |
| NPASS | NPC128825 |
| ChEMBL | CHEMBL108545 |
| LOTUS | LTS0128373 |
| wikiData | Q407669 |