Methyl 2,4-dihydroxy-6-propylbenzoate
| Internal ID | 7638bd8f-c8e9-4179-a9d8-8da7fead42ce |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 2,4-dihydroxy-6-propylbenzoate |
| SMILES (Canonical) | CCCC1=C(C(=CC(=C1)O)O)C(=O)OC |
| SMILES (Isomeric) | CCCC1=C(C(=CC(=C1)O)O)C(=O)OC |
| InChI | InChI=1S/C11H14O4/c1-3-4-7-5-8(12)6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3 |
| InChI Key | AREDPURTHQTRTK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.00 |
| 55382-52-0 |
| Methyl divarate |
| 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester |
| KAV9D8HC7J |
| Benzoic acid, 2,4-dihydroxy-6-propyl-, methyl ester |
| UNII-KAV9D8HC7J |
| CHEMBL3234668 |
| SCHEMBL18051745 |
| CHEMBL-3234668 |
| DTXSID50451725 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.31% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.38% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.09% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.83% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.67% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.23% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.58% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.01% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.48% | 90.00% |
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 | 11009185 |
| LOTUS | LTS0099924 |
| wikiData | Q82271901 |