(2R)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
| Internal ID | ce4cdcb4-7c21-47d6-92e0-825d5b734cdb |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | (2R)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | CC1(C(C(C(C(O1)CO)O)O)O)C2=C(C=CC(=C2O)C(=O)C(CC3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | C[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=C(C=CC(=C2O)C(=O)[C@@H](CC3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C22H26O10/c1-22(21(31)20(30)19(29)15(9-23)32-22)16-13(25)7-6-12(18(16)28)17(27)14(26)8-10-2-4-11(24)5-3-10/h2-7,14-15,19-21,23-26,28-31H,8-9H2,1H3/t14-,15-,19-,20+,21-,22+/m1/s1 |
| InChI Key | ZFMKZJSDRWTYPY-QEQKNVQMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O10 |
| Molecular Weight | 450.40 g/mol |
| Exact Mass | 450.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/81582190-8523-11ee-bbf7-e19d10bac767.jpg "2D Structure of (2R)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 93.56% | 91.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.43% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.35% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.97% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL1944 | P08473 | Neprilysin | 84.74% | 92.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.54% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.84% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.66% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.56% | 97.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.34% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.25% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.57% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.92% | 89.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.80% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.70% | 93.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.00% | 97.79% |
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.
| Eysenhardtia polystachya |
| PubChem | 162926028 |
| LOTUS | LTS0176819 |
| wikiData | Q105374348 |