2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
| Internal ID | 8ee7bd45-d15d-46eb-af51-bd55c630c658 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2,5-dimethoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)OC |
| SMILES (Isomeric) | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)OC |
| InChI | InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)17(22-2)14-16(20)19(15)23-3/h14H,4-13H2,1-3H3 |
| InChI Key | AUSJVHOZNUUITQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H30O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 5.70 |
| 14065-83-9 |
| CHEMBL2296071 |
| Embelin Dimethyl ether |
| 2,5-dimethoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| BDBM50078865 |
| AKOS040740279 |
| 2,5-dimethoxy-3-undecyl-1,4-benzoquinone |
![2D Structure of 2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone](https://plantaedb.com/storage/docs/compounds/2023/11/25-dimethoxy-3-undecyl-14benzoquinone.jpg "2D Structure of 2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
600 nM 320 nM 320 nM 490 nM 230 nM 210 nM 270 nM 200 nM |
IC50 IC50 IC50 IC50 IC50 IC50 IC50 IC50 |
via Super-PRED
via Super-PRED via Super-PRED via Super-PRED via Super-PRED via Super-PRED via Super-PRED via Super-PRED |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.66% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.70% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.32% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.02% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.12% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.18% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.45% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.22% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.77% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.59% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.90% | 93.99% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.53% | 87.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.13% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.09% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.48% | 98.59% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.37% | 91.81% |
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.
| Embelia schimperi |
| PubChem | 5086864 |
| LOTUS | LTS0085943 |
| wikiData | Q104667216 |