2-(3,7-Dimethylocta-2,6-dienyl)-6-[7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-1-benzofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
| Internal ID | cea6baac-cb26-4158-afb4-b85e64f34cb3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones |
| IUPAC Name | 2-(3,7-dimethylocta-2,6-dienyl)-6-[7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-1-benzofuran-2-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=O)C=C(C1=O)C2=CC3=CC(=CC(=C3O2)CC=C(C)CCC=C(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=CC(=O)C=C(C1=O)C2=CC3=CC(=CC(=C3O2)CC=C(C)CCC=C(C)C)O)C)C |
| InChI | InChI=1S/C34H40O4/c1-22(2)9-7-11-24(5)13-15-26-17-30(36)21-31(33(26)37)32-20-28-19-29(35)18-27(34(28)38-32)16-14-25(6)12-8-10-23(3)4/h9-10,13-14,17-21,35H,7-8,11-12,15-16H2,1-6H3 |
| InChI Key | OLVOHJVDFSHOFA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40O4 |
| Molecular Weight | 512.70 g/mol |
| Exact Mass | 512.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 67.50 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of 2-(3,7-Dimethylocta-2,6-dienyl)-6-[7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-1-benzofuran-2-yl]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/92288610-85f6-11ee-8889-07a80e3cfeff.jpg "2D Structure of 2-(3,7-Dimethylocta-2,6-dienyl)-6-[7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-1-benzofuran-2-yl]cyclohexa-2,5-diene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.03% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.62% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.18% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.84% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.59% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.38% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.36% | 83.57% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.88% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.20% | 99.17% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.08% | 85.30% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.70% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.13% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.79% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.77% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.36% | 94.00% |
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.
| Lettowianthus stellatus |
| PubChem | 162938077 |
| LOTUS | LTS0065463 |
| wikiData | Q105194164 |