7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
| Internal ID | 52979d2d-be08-4312-b96a-0e1dad6c4f5a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1C(OC(C(C1O)O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO |
| SMILES (Isomeric) | CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO |
| InChI | InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)16-9-15(26)19-14(25)7-13(8-17(19)32-16)31-23-21(28)20(27)22(30-2)18(10-24)33-23/h3-9,18,20-25,27-28H,10H2,1-2H3/t18-,20-,21-,22-,23-/m1/s1 |
| InChI Key | YAPWSBINQQMSTD-OKKOYFSCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H24O10 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4f694e40-8626-11ee-bfe8-29481049b266.jpg "2D Structure of 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-2-(4-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 | 99.43% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.25% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.35% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.81% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.72% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.06% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.36% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.04% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.09% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.84% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.40% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.39% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 85.14% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.80% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.70% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.47% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.29% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.26% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.81% | 94.45% |
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.
| Lycopus asper |
| PubChem | 162899460 |
| LOTUS | LTS0136834 |
| wikiData | Q105345497 |