methyl 2,4-dimethoxy-6-[(Z)-pentadec-8-enyl]benzoate
| Internal ID | a9998b4d-7727-44c2-abb3-c90b8b4e75b9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | methyl 2,4-dimethoxy-6-[(Z)-pentadec-8-enyl]benzoate |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=C(C(=CC(=C1)OC)OC)C(=O)OC |
| SMILES (Isomeric) | CCCCCC/C=C\CCCCCCCC1=C(C(=CC(=C1)OC)OC)C(=O)OC |
| InChI | InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(27-2)20-23(28-3)24(21)25(26)29-4/h10-11,19-20H,5-9,12-18H2,1-4H3/b11-10- |
| InChI Key | JVGXSRJTDPCVGO-KHPPLWFESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.60 g/mol |
| Exact Mass | 404.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of methyl 2,4-dimethoxy-6-[(Z)-pentadec-8-enyl]benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-24-dimethoxy-6-z-pentadec-8-enylbenzoate.jpg "2D Structure of methyl 2,4-dimethoxy-6-[(Z)-pentadec-8-enyl]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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.95% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.00% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 96.74% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.58% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.19% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.17% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.66% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.92% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.14% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.93% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.32% | 94.45% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.08% | 97.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.97% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.84% | 94.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.94% | 89.63% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.88% | 95.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.41% | 95.50% |
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.
| Ononis speciosa |
| PubChem | 14213576 |
| LOTUS | LTS0080376 |
| wikiData | Q105135711 |