methyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate
| Internal ID | 475a02a7-b299-4bfe-b0a5-2e45064c6aee |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | methyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)OC)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C=CC(=C1)C(=O)OC)OC)/C)C |
| InChI | InChI=1S/C19H26O3/c1-14(2)7-6-8-15(3)9-10-16-13-17(19(20)22-5)11-12-18(16)21-4/h7,9,11-13H,6,8,10H2,1-5H3/b15-9+ |
| InChI Key | KTZGUJOOGORFGG-OQLLNIDSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of methyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-2e-37-dimethylocta-26-dienyl-4-methoxybenzoate.jpg "2D Structure of methyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.80% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.61% | 92.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.38% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.31% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.29% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.80% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.11% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.76% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.11% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.80% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.49% | 91.07% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.34% | 97.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.64% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.27% | 91.19% |
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 |
| PubChem | 101661251 |
| LOTUS | LTS0021704 |
| wikiData | Q105146017 |