[4-methoxy-2-methyl-3,6-dioxo-5-[(Z)-pentadec-10-enyl]cyclohexa-1,4-dien-1-yl] acetate
| Internal ID | 6b5894e1-bb6d-4574-b414-3292c503b29b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | [4-methoxy-2-methyl-3,6-dioxo-5-[(Z)-pentadec-10-enyl]cyclohexa-1,4-dien-1-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23(28)24(30-20(3)26)19(2)22(27)25(21)29-4/h8-9H,5-7,10-18H2,1-4H3/b9-8- |
| InChI Key | GQGSZVZNLTULMP-HJWRWDBZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of [4-methoxy-2-methyl-3,6-dioxo-5-[(Z)-pentadec-10-enyl]cyclohexa-1,4-dien-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-2-methyl-36-dioxo-5-z-pentadec-10-enylcyclohexa-14-dien-1-yl-acetate.jpg "2D Structure of [4-methoxy-2-methyl-3,6-dioxo-5-[(Z)-pentadec-10-enyl]cyclohexa-1,4-dien-1-yl] acetate")
| 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 | 98.26% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.64% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.37% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.14% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.84% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.39% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.61% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.47% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.51% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.25% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.75% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.87% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.83% | 94.45% |
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 | 5319395 |
| LOTUS | LTS0194995 |
| wikiData | Q105015366 |