4-[(2S,6R)-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]benzene-1,2-diol
| Internal ID | e181d134-5925-415f-89d8-09fa0955c6e0 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[(2S,6R)-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]benzene-1,2-diol |
| SMILES (Canonical) | C1CC(OC(C1)C2=CC(=C(C=C2)O)O)CCC3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1C[C@@H](O[C@@H](C1)C2=CC(=C(C=C2)O)O)CCC3=CC=C(C=C3)O |
| InChI | InChI=1S/C19H22O4/c20-15-8-4-13(5-9-15)6-10-16-2-1-3-19(23-16)14-7-11-17(21)18(22)12-14/h4-5,7-9,11-12,16,19-22H,1-3,6,10H2/t16-,19+/m1/s1 |
| InChI Key | LCZDRNJWCTYBNI-APWZRJJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 4-[(2S,6R)-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s6r-6-2-4-hydroxyphenylethyloxan-2-ylbenzene-12-diol.jpg "2D Structure of 4-[(2S,6R)-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-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 | 99.09% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.80% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.11% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.36% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.16% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.42% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 87.24% | 90.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.11% | 99.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.23% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.71% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.60% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.40% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.17% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.86% | 94.73% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.56% | 96.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.77% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.52% | 89.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.47% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.31% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.01% | 99.17% |
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.
| Alnus nepalensis |
| PubChem | 162866920 |
| LOTUS | LTS0138871 |
| wikiData | Q105150087 |