[1-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate
| Internal ID | 93ba9bb2-9ef9-4111-a22b-383456a2bd8a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones |
| IUPAC Name | [1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CCC(C1=COC(=C1)C2=CC(=O)C=CC2=O)OC(=O)C=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC(C1=COC(=C1)C2=CC(=O)C=CC2=O)OC(=O)C=C(C)C)C |
| InChI | InChI=1S/C21H22O5/c1-13(2)5-8-19(26-21(24)9-14(3)4)15-10-20(25-12-15)17-11-16(22)6-7-18(17)23/h5-7,9-12,19H,8H2,1-4H3 |
| InChI Key | WLECSSLQABRRMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 73.60 Ų |
| XlogP | 3.90 |
| (-)-3-Methyl-2-butenoic acid 1-[2-(3,6-dioxo-1,4-cyclohexadien-1-yl)-4-furanyl]-4-methyl-3-pentenyl ester |
![2D Structure of [1-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-36-dioxocyclohexa-14-dien-1-ylfuran-3-yl-4-methylpent-3-enyl-3-methylbut-2-enoate.jpg "2D Structure of [1-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.62% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.13% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.74% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.71% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.09% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.15% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.52% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.08% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.51% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.67% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.01% | 95.50% |
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.
| Lithospermum erythrorhizon |
| PubChem | 71440384 |
| LOTUS | LTS0101798 |
| wikiData | Q104393180 |