4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol
| Internal ID | a0bee4a7-d2c0-438f-ab81-2addc8b07d25 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol |
| SMILES (Canonical) | COC1=CC=CC(=C1)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=CC(=CC=C4)O)O |
| SMILES (Isomeric) | COC1=CC=CC(=C1)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=CC(=CC=C4)O)O |
| InChI | InChI=1S/C29H28O4/c1-32-27-7-3-5-23(19-27)9-8-21-12-15-26(16-13-21)33-29-20-24(14-17-28(29)31)11-10-22-4-2-6-25(30)18-22/h2-7,12-20,30-31H,8-11H2,1H3 |
| InChI Key | PILUXAFOSRRBKC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H28O4 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-3-hydroxyphenylethyl-2-4-2-3-methoxyphenylethylphenoxyphenol.jpg "2D Structure of 4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol")
| 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 | 97.34% | 96.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.45% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.44% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.96% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.98% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.78% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.41% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.54% | 93.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.13% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.12% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.42% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.05% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.63% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.98% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.27% | 95.50% |
| CHEMBL240 | Q12809 | HERG | 85.60% | 89.76% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.24% | 92.67% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.07% | 99.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.11% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.25% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.90% | 93.99% |
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 | 162935659 |
| LOTUS | LTS0157857 |
| wikiData | Q105209596 |