(2S)-5-hydroxy-7-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenyl-2,3-dihydrochromen-4-one
| Internal ID | b77d2b5e-6681-45f4-adfb-da3a8ca0d3f9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2S)-5-hydroxy-7-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(C1=CC=C(C=C1)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=CC=C4)O)O |
| SMILES (Isomeric) | C[C@@H](C1=CC=C(C=C1)OC2=CC(=C3C(=O)C[C@H](OC3=C2)C4=CC=CC=C4)O)O |
| InChI | InChI=1S/C23H20O5/c1-14(24)15-7-9-17(10-8-15)27-18-11-19(25)23-20(26)13-21(28-22(23)12-18)16-5-3-2-4-6-16/h2-12,14,21,24-25H,13H2,1H3/t14-,21-/m0/s1 |
| InChI Key | YCOTUQMQORMKOG-QKKBWIMNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20O5 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-7-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenyl-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-hydroxy-7-4-1s-1-hydroxyethylphenoxy-2-phenyl-23-dihydrochromen-4-one.jpg "2D Structure of (2S)-5-hydroxy-7-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenyl-2,3-dihydrochromen-4-one")
| 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 | 99.11% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.49% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.18% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.79% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.07% | 86.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.53% | 92.68% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.39% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.19% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.85% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.62% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.48% | 99.35% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.98% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.74% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.40% | 90.71% |
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.
| Ozothamnus stirlingii |
| PubChem | 162851637 |
| LOTUS | LTS0103859 |
| wikiData | Q105346397 |