7-[(2R,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
| Internal ID | 45b2b536-290f-4e7d-b256-3cc564cf4602 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[(2R,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4CC(C(CO4)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@@H]4C[C@@H]([C@H](CO4)O)O)O)O |
| InChI | InChI=1S/C21H20O9/c1-27-18-4-10(2-3-12(18)22)17-7-15(25)21-14(24)5-11(6-19(21)30-17)29-20-8-13(23)16(26)9-28-20/h2-7,13,16,20,22-24,26H,8-9H2,1H3/t13-,16-,20+/m0/s1 |
| InChI Key | PKGDCRQAOADCKA-ZSOFBXJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 7-[(2R,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2r4s5s-45-dihydroxyoxan-2-yloxy-5-hydroxy-2-4-hydroxy-3-methoxyphenylchromen-4-one.jpg "2D Structure of 7-[(2R,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-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 | 98.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.75% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.63% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.85% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.32% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.61% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.54% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.43% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.64% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.93% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.24% | 90.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.99% | 88.48% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.40% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.91% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.75% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.98% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.96% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 83.21% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.63% | 100.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.53% | 89.23% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.31% | 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.
| Dioscorea oppositifolia |
| PubChem | 163036862 |
| LOTUS | LTS0193331 |
| wikiData | Q105210406 |