methyl 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate
| Internal ID | be7fbbe3-b893-4b93-956e-e8a417ee22ce |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O6/c1-12(2)6-5-7-13(3)8-9-25-18-14(11-20)15(21)10-16(22)17(18)19(23)24-4/h6,8,10,20-22H,5,7,9,11H2,1-4H3/b13-8+ |
| InChI Key | VBSHZLVYRHEDJB-MDWZMJQESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-2e-37-dimethylocta-26-dienoxy-46-dihydroxy-3-hydroxymethylbenzoate.jpg "2D Structure of methyl 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate")
| 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 | 98.14% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.79% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.74% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.28% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.65% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.76% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.34% | 93.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.18% | 91.07% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.94% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.04% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.81% | 96.90% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.34% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.00% | 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.
| Melicope broadbentiana |
| PubChem | 101289828 |
| LOTUS | LTS0237700 |
| wikiData | Q105283466 |