Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
| Internal ID | e3820a9a-dad9-4975-8034-11b5a8768982 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=CC(=C1)C(=O)OC)O)O)O |
| SMILES (Isomeric) | CC(C)(C(CC1=C(C=CC(=C1)C(=O)OC)O)O)O |
| InChI | InChI=1S/C13H18O5/c1-13(2,17)11(15)7-9-6-8(12(16)18-3)4-5-10(9)14/h4-6,11,14-15,17H,7H2,1-3H3 |
| InChI Key | ABFHVQPVDSMGNR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.28 g/mol |
| Exact Mass | 254.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.00 |
| methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate |
| 117176-70-2 |
| CHEMBL451571 |
| SCHEMBL19212021 |
| CHEBI:138773 |
| DTXSID101236497 |
| EN300-37476735 |
| 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 | 97.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.66% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.99% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.91% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.30% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.08% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.71% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.50% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.60% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.27% | 96.95% |
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.
| Pandanus tectorius |
| Piper hostmannianum |
| PubChem | 11184361 |
| LOTUS | LTS0085170 |
| wikiData | Q104908588 |