3-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol
| Internal ID | e1aa7384-2f4e-4374-a490-0c3145b286b8 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-[2-[4-hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=C(C(=CC=C4)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=C(C(=CC=C4)O)O)O |
| InChI | InChI=1S/C28H26O5/c29-23-5-1-3-20(17-23)8-7-19-10-14-24(15-11-19)33-27-18-21(12-16-25(27)30)9-13-22-4-2-6-26(31)28(22)32/h1-6,10-12,14-18,29-32H,7-9,13H2 |
| InChI Key | SZYQHLSWPACHMX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26O5 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-4-hydroxy-3-4-2-3-hydroxyphenylethylphenoxyphenylethylbenzene-12-diol.jpg "2D Structure of 3-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]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 | 98.92% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.05% | 99.15% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 95.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.80% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.35% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.57% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.29% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.04% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 90.44% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.60% | 83.57% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.29% | 98.75% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.83% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.99% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.19% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.06% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.68% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.06% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.76% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.25% | 90.20% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.63% | 91.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.49% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.22% | 91.71% |
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.
| Pellia epiphylla |
| PubChem | 101712298 |
| LOTUS | LTS0230131 |
| wikiData | Q105264500 |