2-Hydroxy-3,5-dimethylterephthalic acid
| Internal ID | a3a10f87-aee6-47ca-b5f2-0e07c520c182 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Phthalic acid and derivatives > P-phthalic acid and derivatives |
| IUPAC Name | 2-hydroxy-3,5-dimethylterephthalic acid |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)O)C)O)C(=O)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)O)C)O)C(=O)O |
| InChI | InChI=1S/C10H10O5/c1-4-3-6(9(12)13)8(11)5(2)7(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15) |
| InChI Key | KNLFMOPRKLBBDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.18 g/mol |
| Exact Mass | 210.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 91.88% | 92.50% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 90.74% | 91.79% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.40% | 94.42% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.43% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.22% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.96% | 83.57% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.72% | 81.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.39% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.13% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 83.32% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.24% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.35% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.27% | 93.56% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.37% | 95.71% |
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.
| Swertia petiolata |
| PubChem | 87705864 |
| LOTUS | LTS0055286 |
| wikiData | Q105143456 |