(4-Methoxy-5-methyl-3,6-dioxo-2-tridecylcyclohexa-1,4-dien-1-yl) acetate
| Internal ID | 4932ad40-2b43-4b99-88a1-ec2eb17b5e36 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | (4-methoxy-5-methyl-3,6-dioxo-2-tridecylcyclohexa-1,4-dien-1-yl) acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)C)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)C)OC(=O)C |
| InChI | InChI=1S/C23H36O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-21(26)22(27-4)17(2)20(25)23(19)28-18(3)24/h5-16H2,1-4H3 |
| InChI Key | WCWZMXGLFXUWAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O5 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.66% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.79% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.55% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.34% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.05% | 92.68% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.91% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.23% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.65% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.55% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.23% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.01% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.15% | 97.21% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.77% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.38% | 85.94% |
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.
| Maesa lanceolata |
| PubChem | 5321663 |
| LOTUS | LTS0223318 |
| wikiData | Q105302148 |