3-[2-[4-[5-[2-(2,3-Dihydroxyphenyl)ethyl]-2-hydroxyphenoxy]phenyl]ethyl]benzene-1,2-diol
| Internal ID | fad37196-1416-459d-9df9-eae76ca616c1 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-[2-[4-[5-[2-(2,3-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy]phenyl]ethyl]benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)O)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=C(C(=CC=C4)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)O)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=C(C(=CC=C4)O)O)O |
| InChI | InChI=1S/C28H26O6/c29-23-16-11-19(8-13-21-4-2-6-25(31)28(21)33)17-26(23)34-22-14-9-18(10-15-22)7-12-20-3-1-5-24(30)27(20)32/h1-6,9-11,14-17,29-33H,7-8,12-13H2 |
| InChI Key | YKQVXJRNXCNWPK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H26O6 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 3-[2-[4-[5-[2-(2,3-Dihydroxyphenyl)ethyl]-2-hydroxyphenoxy]phenyl]ethyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-4-5-2-23-dihydroxyphenylethyl-2-hydroxyphenoxyphenylethylbenzene-12-diol.jpg "2D Structure of 3-[2-[4-[5-[2-(2,3-Dihydroxyphenyl)ethyl]-2-hydroxyphenoxy]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 | 99.17% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.21% | 99.15% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.23% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.44% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.79% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.15% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.99% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.61% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.03% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 87.99% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.22% | 95.89% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.00% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.85% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.75% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.46% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.81% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.74% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.08% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.93% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.17% | 93.99% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.90% | 93.81% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.65% | 95.50% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.03% | 91.43% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.02% | 90.24% |
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 | 10253626 |
| LOTUS | LTS0262057 |
| wikiData | Q105349853 |