(2S)-7-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | e8342df4-8e6b-42cf-bf70-4522be844881 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | (2S)-7-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3(C(C(C(O3)CO)O)O)CO)C4=CC=C(C=C4)O |
| SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)C4=CC=C(C=C4)O |
| InChI | InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1 |
| InChI Key | ILTHPPRTQUWWGU-NXUBFONISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O10 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (2S)-7-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4af0b410-8553-11ee-92b3-5f3a0243fc87.jpg "2D Structure of (2S)-7-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-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 | 99.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.11% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.14% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.08% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.83% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.99% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.52% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.15% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.94% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.44% | 95.78% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.36% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.77% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.40% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.81% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.17% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 81.01% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.91% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.38% | 95.89% |
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.
| Euphorbia condylocarpa |
| PubChem | 163098391 |
| LOTUS | LTS0056367 |
| wikiData | Q105115459 |