Methyl 3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)benzoate
| Internal ID | eae07d70-4045-4e62-9333-22e7eece4192 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)benzoate |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)OC)C)C |
| InChI | InChI=1S/C23H32O3/c1-16(2)8-7-9-18(5)11-13-20-15-21(23(25)26-6)14-19(22(20)24)12-10-17(3)4/h8,10-11,14-15,24H,7,9,12-13H2,1-6H3 |
| InChI Key | ZDDYPNINFTUGHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O3 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.67% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.63% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.54% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.69% | 91.49% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.56% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.11% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.81% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.07% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.43% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.72% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.60% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.08% | 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.
| Myrsine umbellata |
| PubChem | 162820281 |
| LOTUS | LTS0196461 |
| wikiData | Q104202304 |