2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]benzene-1,4-diol
| Internal ID | 20a9d07d-5693-4d34-8812-5a9bc6f4d513 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Hydroquinones |
| IUPAC Name | 2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]benzene-1,4-diol |
| SMILES (Canonical) | CC(=CCCC1=CC(OC1)C2=C(C=CC(=C2)O)O)C |
| SMILES (Isomeric) | CC(=CCCC1=C[C@H](OC1)C2=C(C=CC(=C2)O)O)C |
| InChI | InChI=1S/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3/t16-/m0/s1 |
| InChI Key | RLSJCCIBFMIPMJ-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.33 g/mol |
| Exact Mass | 260.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]benzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s-4-4-methylpent-3-enyl-25-dihydrofuran-2-ylbenzene-14-diol.jpg "2D Structure of 2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]benzene-1,4-diol")
| 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 | 99.32% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.57% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.81% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.59% | 83.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.55% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.76% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.13% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.36% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.68% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.88% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.44% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.79% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.47% | 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.
| Lithospermum erythrorhizon |
| PubChem | 162949978 |
| LOTUS | LTS0171175 |
| wikiData | Q105240493 |