2-(3,4-dihydroxyphenyl)-5-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,7,8-trihydroxychromen-4-one
| Internal ID | d27576a9-7c27-4519-b0b3-189a6045b633 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,7,8-trihydroxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)C4=CC(=C(C5=C4C(=O)C(=C(O5)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(O2)C(=C(C=C3)O)O)C4=CC(=C(C5=C4C(=O)C(=C(O5)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C30H22O13/c31-14-4-1-10(7-17(14)34)27-25(40)20(12-3-6-16(33)22(37)29(12)42-27)13-9-19(36)23(38)30-21(13)24(39)26(41)28(43-30)11-2-5-15(32)18(35)8-11/h1-9,20,25,27,31-38,40-41H/t20-,25-,27+/m0/s1 |
| InChI Key | SNWMGMCMXATNDA-QOAWAWRESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O13 |
| Molecular Weight | 590.50 g/mol |
| Exact Mass | 590.10604075 g/mol |
| Topological Polar Surface Area (TPSA) | 238.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-dihydroxyphenyl)-5-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,7,8-trihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b90116e0-8531-11ee-bccc-43ed9e300a67.jpg "2D Structure of 2-(3,4-dihydroxyphenyl)-5-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,7,8-trihydroxychromen-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 | 99.73% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.68% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.17% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.46% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.13% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.41% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.12% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.58% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.79% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.53% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.26% | 85.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.09% | 83.10% |
| CHEMBL3194 | P02766 | Transthyretin | 83.76% | 90.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.59% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.24% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.06% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.01% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 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.
| Senegalia nigrescens |
| PubChem | 10886446 |
| LOTUS | LTS0079689 |
| wikiData | Q105256729 |