7-Hydroxy-5-methoxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
| Internal ID | 9627a10a-bbf3-4b88-bff2-062b905334d8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 7-hydroxy-5-methoxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C22H24O10/c1-29-15-6-11(24)7-16-18(15)13(25)8-14(31-16)10-2-4-12(5-3-10)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3 |
| InChI Key | ZXWFRMFIGVXAJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O10 |
| Molecular Weight | 448.40 g/mol |
| Exact Mass | 448.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-5-methoxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8acaa6c0-86be-11ee-842f-03aecfdd996f.jpg "2D Structure of 7-Hydroxy-5-methoxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-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 | 99.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.64% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.96% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.62% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.68% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.07% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.01% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.78% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.13% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.75% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.66% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.13% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.59% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.98% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.92% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.17% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.95% | 99.15% |
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.
| Alhagi maurorum |
| PubChem | 74819417 |
| LOTUS | LTS0206455 |
| wikiData | Q105385834 |