2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-(10-pentadecenyl)-, (Z)-
| Internal ID | 7c7fc480-3505-4dd1-acd1-33759accb0f3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2-[(E)-14-methoxypentadec-9-en-6-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCC(CCC=CCCCC(C)OC)C1=CC(=O)C=CC1=O |
| SMILES (Isomeric) | CCCCCC(CC/C=C/CCCC(C)OC)C1=CC(=O)C=CC1=O |
| InChI | InChI=1S/C22H34O3/c1-4-5-9-13-19(21-17-20(23)15-16-22(21)24)14-11-8-6-7-10-12-18(2)25-3/h6,8,15-19H,4-5,7,9-14H2,1-3H3/b8-6+ |
| InChI Key | WNZXOLJKBYUFDZ-SOFGYWHQSA-N |
| Popularity | 3 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 | 5.60 |
| 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-(10-pentadecenyl)-, (Z)- |
| 2-[(E)-14-methoxypentadec-9-en-6-yl]cyclohexa-2,5-diene-1,4-dione |
| Ardisianone A |
| 2-Methoxy-6-((Z)-10'-pentadecenyl)-1,4-benzoquinone |
| 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 | 97.63% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.95% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 91.87% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.66% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.85% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.22% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.76% | 85.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.67% | 93.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.92% | 97.29% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 87.04% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.61% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.75% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.61% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.42% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.42% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.19% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.15% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.62% | 93.56% |
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 |
| PubChem | 6443649 |
| LOTUS | LTS0271238 |
| wikiData | Q105309389 |