3-(4-Hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
| Internal ID | 86e409bb-3875-490b-832c-24031e795001 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H28O13/c27-12-3-1-11(2-4-12)15-8-35-17-7-13(5-6-14(17)19(15)29)38-26-24(34)22(32)21(31)18(39-26)10-37-25-23(33)20(30)16(28)9-36-25/h1-8,16,18,20-28,30-34H,9-10H2 |
| InChI Key | BBKQTPJFHQLCCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O13 |
| Molecular Weight | 548.50 g/mol |
| Exact Mass | 548.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 3-(4-Hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8b3b5c00-87ca-11ee-b31b-fda58fcf8b42.jpg "2D Structure of 3-(4-Hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-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 | 99.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.94% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.57% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.92% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.58% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.90% | 98.35% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.51% | 86.92% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.16% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.10% | 95.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.59% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.41% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.12% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.72% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.49% | 80.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.24% | 95.83% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.85% | 95.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.29% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.12% | 94.45% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.07% | 97.28% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.04% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.13% | 90.71% |
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.
| Eleutherococcus brachypus |
| PubChem | 162919822 |
| LOTUS | LTS0273904 |
| wikiData | Q104922819 |