7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
| Internal ID | 45596377-2454-44fe-91ab-fd7dd2df7841 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O10/c22-7-14-16(26)17(27)18(28)21(30-14)31-20-13(24)6-5-11-15(25)12(8-29-19(11)20)9-1-3-10(23)4-2-9/h1-6,8,14,16-18,21-24,26-28H,7H2/t14-,16-,17+,18-,21+/m1/s1 |
| InChI Key | RIQBSCOBOICSFR-OACYRQNASA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H20O10 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.30 |
| Puerarin,(S) |
| 7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one |
| Puerarin (Kakonein) |
| SCHEMBL105485 |
| HMS3884L13 |
| 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
| s2346 |
| AKOS016034336 |
| CCG-269037 |
| SW219894-1 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/780c1d30-861b-11ee-a6ed-0372cca40f30.jpg "2D Structure of 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-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 | 99.12% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.19% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.84% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.18% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.00% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.77% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.21% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.52% | 94.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.71% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.80% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.63% | 91.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.56% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.50% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.16% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.99% | 95.83% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.30% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.04% | 96.21% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.01% | 95.71% |
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.
| Pueraria montana var. lobata |
| PubChem | 15068212 |
| LOTUS | LTS0136755 |
| wikiData | Q105237064 |