[1-[4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate
| Internal ID | cd9ff311-c4d5-48f5-947e-a9ac8ddf0eea |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | [1-[4-(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=C1C2=CC(=O)C=CC2=O)OC(=O)C=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC(C1=COC=C1C2=CC(=O)C=CC2=O)OC(=O)C=C(C)C)C |
| InChI | InChI=1S/C21H22O5/c1-13(2)5-8-20(26-21(24)9-14(3)4)18-12-25-11-17(18)16-10-15(22)6-7-19(16)23/h5-7,9-12,20H,8H2,1-4H3 |
| InChI Key | MXPOXZBLJWFPHU-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 |
| There are no found synonyms. |
![2D Structure of [1-[4-(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/2023/11/1-4-36-dioxocyclohexa-14-dien-1-ylfuran-3-yl-4-methylpent-3-enyl-3-methylbut-2-enoate.jpg "2D Structure of [1-[4-(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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.29% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.36% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.41% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.53% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.50% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.54% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.95% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.75% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.57% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.04% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.85% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.69% | 95.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.15% | 96.67% |
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 | 23266087 |
| LOTUS | LTS0100974 |
| wikiData | Q105174478 |