2-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,4-diol
| Internal ID | fb47bec3-5db6-4926-ae6a-f2f8c278d9d4 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 2-[2-[4-hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,4-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/c29-23-3-1-2-20(16-23)5-4-19-7-12-25(13-8-19)33-28-17-21(9-14-27(28)32)6-10-22-18-24(30)11-15-26(22)31/h1-3,7-9,11-18,29-32H,4-6,10H2 |
| InChI Key | ATSOUVLXRKHTKK-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 2-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-4-hydroxy-3-4-2-3-hydroxyphenylethylphenoxyphenylethylbenzene-14-diol.jpg "2D Structure of 2-[2-[4-Hydroxy-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenyl]ethyl]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 |
|---|---|---|---|---|
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 98.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.82% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.02% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.95% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.42% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.17% | 95.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.70% | 83.57% |
| CHEMBL3194 | P02766 | Transthyretin | 88.32% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.55% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.42% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.20% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.32% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.27% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.79% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.54% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.59% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.44% | 94.73% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.14% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.48% | 99.35% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.04% | 91.43% |
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 | 101712297 |
| LOTUS | LTS0179560 |
| wikiData | Q104918662 |