(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-2,3-dihydrochromen-4-one
| Internal ID | 5f33202f-1a2f-40ad-beec-b04acfebe19d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=C(C1=O)C(=CC(=C2)O)OCC3C(C(C(C(O3)O)O)O)O)C4=CC=C(C=C4)O |
| SMILES (Isomeric) | C1[C@H](OC2=C(C1=O)C(=CC(=C2)O)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)C4=CC=C(C=C4)O |
| InChI | InChI=1S/C21H22O10/c22-10-3-1-9(2-4-10)13-7-12(24)17-14(5-11(23)6-15(17)30-13)29-8-16-18(25)19(26)20(27)21(28)31-16/h1-6,13,16,18-23,25-28H,7-8H2/t13-,16+,18+,19-,20+,21?/m0/s1 |
| InChI Key | NBNJOUADJFMZFT-NPRBCIRTSA-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 | -0.50 |
| There are no found synonyms. |
![2D Structure of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/36721d50-869e-11ee-b401-117192678fea.jpg "2D Structure of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-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 | 98.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.69% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.15% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.13% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.50% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.90% | 95.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.42% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.50% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.86% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.76% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.09% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.74% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.67% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.88% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.32% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.99% | 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.
| Glebionis coronaria |
| PubChem | 163067902 |
| LOTUS | LTS0197919 |
| wikiData | Q104939082 |