(2R,3S)-6,8-bis[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | bec44050-e602-4bf2-9ffb-cbbc2d569450 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3S)-6,8-bis[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H40O16/c1-59-32-11-4-18(14-30(32)53)43-31(54)17-25-39(55)37(35-23-7-5-21(47)15-33(23)60-44(41(35)57)19-2-9-26(49)28(51)12-19)40(56)38(46(25)62-43)36-24-8-6-22(48)16-34(24)61-45(42(36)58)20-3-10-27(50)29(52)13-20/h2-16,31,35-36,41-45,47-58H,17H2,1H3/t31-,35-,36-,41-,42-,43+,44+,45+/m0/s1 |
| InChI Key | DKBYMWXYYGNACG-VVQRFMKCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H40O16 |
| Molecular Weight | 848.80 g/mol |
| Exact Mass | 848.23163518 g/mol |
| Topological Polar Surface Area (TPSA) | 280.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-6,8-bis[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6db03280-86de-11ee-a1c1-6750f3991a0d.jpg "2D Structure of (2R,3S)-6,8-bis[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol")
| 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 | 99.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.98% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.15% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.53% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.23% | 98.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.77% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.70% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.01% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.72% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.16% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.05% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.15% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.53% | 88.48% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 85.83% | 95.55% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.80% | 95.78% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.65% | 82.67% |
| CHEMBL3194 | P02766 | Transthyretin | 83.95% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.17% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.62% | 97.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.43% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.96% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.54% | 94.73% |
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.
| Guibourtia coleosperma |
| PubChem | 14540950 |
| LOTUS | LTS0168409 |
| wikiData | Q104983004 |