4-[(E,3R,4R)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
| Internal ID | 4e4f475a-0cd2-4913-a0fb-bace9edc4a10 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(E,3R,4R)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/[C@H](C2=CC(=C(C=C2)O)O)[C@H](CO)O)O |
| InChI | InChI=1S/C17H18O5/c18-10-17(22)14(12-4-8-15(20)16(21)9-12)7-3-11-1-5-13(19)6-2-11/h1-9,14,17-22H,10H2/b7-3+/t14-,17+/m1/s1 |
| InChI Key | UWWISKPOVFKUES-ADYCGDDGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 4-[(E,3R,4R)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e3r4r-45-dihydroxy-1-4-hydroxyphenylpent-1-en-3-ylbenzene-12-diol.jpg "2D Structure of 4-[(E,3R,4R)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-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 | 98.95% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.37% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 93.54% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.13% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.65% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.36% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.68% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.91% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.82% | 89.62% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.45% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.54% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.63% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.53% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.18% | 91.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.92% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.23% | 99.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.87% | 97.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.40% | 94.73% |
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.
| Nicotiana tabacum |
| Sequoia sempervirens |
| PubChem | 163190753 |
| LOTUS | LTS0259268 |
| wikiData | Q105280589 |