2'-Hydroxygenistein 4',7-O-diglucoside
| Internal ID | b70b544f-296d-499c-b5a2-b94c5af5ea1b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 5-hydroxy-3-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)C3=COC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C3=COC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChI | InChI=1S/C27H30O16/c28-6-16-20(33)22(35)24(37)26(42-16)40-9-1-2-11(13(30)3-9)12-8-39-15-5-10(4-14(31)18(15)19(12)32)41-27-25(38)23(36)21(34)17(7-29)43-27/h1-5,8,16-17,20-31,33-38H,6-7H2/t16-,17-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| InChI Key | DGEFYIULIWNIBU-UMUUNPGWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H30O16 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.15338487 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -1.30 |
| 2'-Hydroxygenistein 4',7-O-diglucoside |
| Q63392620 |
| 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 | 99.62% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.82% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.57% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.49% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.24% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.23% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.23% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.31% | 96.21% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.19% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.45% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.35% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.04% | 95.89% |
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.
| Lupinus albus |
| Lupinus polyphyllus |
| PubChem | 101644597 |
| LOTUS | LTS0255234 |
| wikiData | Q63392620 |