(2R,3R)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | f00c1f31-5cbe-4495-9b39-aa2cda5d3a2e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3R)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27+,28-,29-/m1/s1 |
| InChI Key | JSHLJKSNROBZCN-YLCNXTAQSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H26O10 |
| Molecular Weight | 546.50 g/mol |
| Exact Mass | 546.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d9cb0420-8512-11ee-8fa0-958c583ee08d.jpg "2D Structure of (2R,3R)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-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 | 99.43% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.66% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.57% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.70% | 99.15% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.59% | 99.35% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.37% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.17% | 89.00% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 89.66% | 96.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.57% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.93% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.16% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.57% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.36% | 99.23% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.04% | 97.64% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.38% | 93.40% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.26% | 95.93% |
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.
| Cassia abbreviata |
| PubChem | 14353356 |
| LOTUS | LTS0097253 |
| wikiData | Q105134358 |