[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl] 4-hydroxy-3-methoxybenzoate
| Internal ID | 7f0de534-cf91-43fc-bed1-086d9d09deb6 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > M-methoxybenzoic acids and derivatives |
| IUPAC Name | [(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl] 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O5/c1-12(2)9-15(19)10-13(3)7-8-23-18(21)14-5-6-16(20)17(11-14)22-4/h5-7,9,11,20H,8,10H2,1-4H3/b13-7+ |
| InChI Key | RLXNQYWBPSBZGD-NTUHNPAUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl] 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2e-37-dimethyl-5-oxoocta-26-dienyl-4-hydroxy-3-methoxybenzoate.jpg "2D Structure of [(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl] 4-hydroxy-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.19% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.46% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.23% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.18% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.99% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.52% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.01% | 96.90% |
| CHEMBL3194 | P02766 | Transthyretin | 83.36% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.66% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.24% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.18% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.02% | 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.
| Trichocolea tomentella |
| PubChem | 101324746 |
| LOTUS | LTS0085145 |
| wikiData | Q104254550 |