4-Hydroxy-3-methylbenzoic acid
| Internal ID | d41835be-6b2b-4632-a54e-909c9490d435 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 4-hydroxy-3-methylbenzoic acid |
| SMILES (Canonical) | CC1=C(C=CC(=C1)C(=O)O)O |
| SMILES (Isomeric) | CC1=C(C=CC(=C1)C(=O)O)O |
| InChI | InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) |
| InChI Key | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
| Popularity | 17 references in papers |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 g/mol |
| Exact Mass | 152.047344113 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 0.90 |
| 499-76-3 |
| 4-Hydroxy-m-toluic acid |
| 4,3-Cresotic acid |
| 3-methyl-4-hydroxybenzoic acid |
| 4-Hydroxy-3-methyl-benzoic acid |
| Benzoic acid, 4-hydroxy-3-methyl- |
| BFE7E9FED4 |
| 4-Hydroxy-3-methylbenzoate |
| MFCD00270105 |
| 4-Hydroxy-3-MethylbenzoicAcid |
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 92.85% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.35% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.31% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.79% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.32% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.30% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.21% | 91.49% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.53% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.49% | 91.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.28% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.13% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.65% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.53% | 98.95% |
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.
| Incarvillea delavayi |
| PubChem | 68138 |
| LOTUS | LTS0042782 |
| wikiData | Q27158427 |