5-[(R)-hydroxy-[(2S,3S)-3-phenyloxiran-2-yl]methyl]-2-phenoxyphenol
| Internal ID | e08afad7-7c82-463a-b1f9-30d5fd7db612 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 5-[(R)-hydroxy-[(2S,3S)-3-phenyloxiran-2-yl]methyl]-2-phenoxyphenol |
| SMILES (Canonical) | C1=CC=C(C=C1)C2C(O2)C(C3=CC(=C(C=C3)OC4=CC=CC=C4)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)[C@H]2[C@@H](O2)[C@@H](C3=CC(=C(C=C3)OC4=CC=CC=C4)O)O |
| InChI | InChI=1S/C21H18O4/c22-17-13-15(11-12-18(17)24-16-9-5-2-6-10-16)19(23)21-20(25-21)14-7-3-1-4-8-14/h1-13,19-23H/t19-,20+,21+/m1/s1 |
| InChI Key | CCLMXUULUZEKRQ-HKBOAZHASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 5-[(R)-hydroxy-[(2S,3S)-3-phenyloxiran-2-yl]methyl]-2-phenoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/5-r-hydroxy-2s3s-3-phenyloxiran-2-ylmethyl-2-phenoxyphenol.jpg "2D Structure of 5-[(R)-hydroxy-[(2S,3S)-3-phenyloxiran-2-yl]methyl]-2-phenoxyphenol")
| 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 | 97.26% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.64% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.05% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 90.20% | 90.71% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.17% | 97.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.55% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.31% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.91% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.77% | 90.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.72% | 83.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.55% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.50% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.79% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.45% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.32% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.95% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.29% | 83.82% |
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.
| Pueraria tuberosa |
| PubChem | 101249257 |
| LOTUS | LTS0071425 |
| wikiData | Q104953453 |