2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
| Internal ID | 2c07ba42-fa6f-48e2-834a-abddc101acc8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds > Menaquinones |
| IUPAC Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=O)C2=CC=CC=C2C1=O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=CC(=O)C2=CC=CC=C2C1=O)/C)C |
| InChI | InChI=1S/C20H22O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+ |
| InChI Key | WALCBDVYDNDULV-RVDMUPIBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O2 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 5.60 |
| (E)-2-(3,7-dimethylocta-2,6-dien-1-yl)naphthalene-1,4-dione |
![2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-2e-37-dimethylocta-26-dienylnaphthalene-14-dione.jpg "2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione")
| 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 | 98.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.38% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.78% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.94% | 92.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.85% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.36% | 82.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.59% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.18% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.97% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.44% | 92.51% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.10% | 90.17% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.60% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.54% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.76% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.61% | 86.33% |
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.
| Sesamum indicum |
| PubChem | 5280838 |
| LOTUS | LTS0133659 |
| wikiData | Q105300304 |