5-hydroxy-2-[3-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one
| Internal ID | 4c0bf9d3-b445-40cb-944e-0a27b503d40f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 5-hydroxy-2-[3-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O)O)O)O)O |
| InChI | InChI=1S/C22H22O10/c1-9-19(26)20(27)21(28)22(30-9)32-15-4-3-10(5-12(15)23)16-8-14(25)18-13(24)6-11(29-2)7-17(18)31-16/h3-9,19-24,26-28H,1-2H3/t9-,19-,20+,21+,22+/m0/s1 |
| InChI Key | UQDIHJADFOWJCW-LBBHLIFDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2-[3-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2f9551b0-86a5-11ee-82e9-0dd6bf17b2c0.jpg "2D Structure of 5-hydroxy-2-[3-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-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 | 98.02% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.38% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.77% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.40% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.36% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.88% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.66% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.54% | 97.36% |
| CHEMBL3194 | P02766 | Transthyretin | 91.53% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.41% | 95.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.58% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.59% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.29% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.69% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.48% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.21% | 86.92% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.68% | 83.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.01% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.96% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.19% | 95.53% |
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.
| Amaranthus spinosus |
| Atraphaxis spinosa |
| PubChem | 101939797 |
| LOTUS | LTS0083549 |
| wikiData | Q105277168 |