[(1R)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] (2R)-2-methylbutanoate
| Internal ID | b1b6dca0-3bd5-47c6-8016-ede09d7dd5e3 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Hydroquinones |
| IUPAC Name | [(1R)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] (2R)-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)O[C@H](CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
| InChI | InChI=1S/C21H26O5/c1-5-14(4)21(24)26-19(9-6-13(2)3)15-10-20(25-12-15)17-11-16(22)7-8-18(17)23/h6-8,10-12,14,19,22-23H,5,9H2,1-4H3/t14-,19-/m1/s1 |
| InChI Key | PEZOMNLHRUVLDV-AUUYWEPGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.90 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [(1R)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-5-25-dihydroxyphenylfuran-3-yl-4-methylpent-3-enyl-2r-2-methylbutanoate.jpg "2D Structure of [(1R)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] (2R)-2-methylbutanoate")
| 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 | 97.44% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.40% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.21% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.57% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.76% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.87% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.48% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.65% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.10% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.38% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.42% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.65% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.91% | 95.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.82% | 99.35% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.75% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.55% | 93.10% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.07% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.03% | 89.62% |
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.
| Arnebia euchroma |
| Lithospermum erythrorhizon |
| PubChem | 162879130 |
| LOTUS | LTS0169968 |
| wikiData | Q105207587 |