2-Methoxy-6-pentadec-10-enylcyclohexa-2,5-diene-1,4-dione
| Internal ID | ba6dde27-73a2-4505-97ca-1ca8ab5eab61 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2-methoxy-6-pentadec-10-enylcyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC |
| SMILES (Isomeric) | CCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC |
| InChI | InChI=1S/C22H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23)18-21(25-2)22(19)24/h6-7,17-18H,3-5,8-16H2,1-2H3 |
| InChI Key | VCQWEXLSFYRPJZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 7.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.63% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.52% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.75% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.21% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.82% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.43% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.26% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.16% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.19% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.94% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.47% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.55% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.15% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.80% | 91.81% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.35% | 93.04% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.50% | 87.45% |
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.
| Ardisia japonica |
| Iris domestica |
| PubChem | 54385086 |
| LOTUS | LTS0045172 |
| wikiData | Q105283905 |