Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
| Internal ID | e7be1665-eeb7-457f-b25b-ba8fc24ab102 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C(=O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C(=O)OC)O)C |
| InChI | InChI=1S/C13H16O3/c1-9(2)4-5-10-8-11(13(15)16-3)6-7-12(10)14/h4,6-8,14H,5H2,1-3H3 |
| InChI Key | VTTIBUAIXVAPKR-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 g/mol |
| Exact Mass | 220.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.30 |
| methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate |
| Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate |
| Methyl 4-hydroxy-3-(3-methyl-2-butenyl)benzoate |
| CHEMBL463294 |
| SCHEMBL10909155 |
| DTXSID70143973 |
| METHYL 4-HYDROXY-3-(3-METHYLBUT-2-EN-1-YL)BENZOATE |
| Benzoic acid, 4-hydroxy-3-(3-methyl-2-butenyl)-, methyl ester |
| 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 | 98.51% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.62% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.48% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.76% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.00% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.87% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.60% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.46% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.89% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.62% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.75% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.37% | 91.07% |
| CHEMBL3194 | P02766 | Transthyretin | 81.23% | 90.71% |
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.
| Piper aduncum |
| Piper glabratum |
| Piper hostmannianum |
| PubChem | 127925 |
| LOTUS | LTS0131351 |
| wikiData | Q83008045 |