(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | 79d2fe9c-e416-4bc6-87e5-59d1e4b194a3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O)C4=C(C=C(C5=C4OC(C(C5)O)C6=CC(=C(C=C6)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H](C2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O)C4=C(C=C(C5=C4O[C@@H]([C@H](C5)O)C6=CC(=C(C=C6)O)O)O)O |
| InChI | InChI=1S/C30H26O11/c31-14-7-22(37)27-16(10-25(40-26(27)8-14)12-1-3-17(32)20(35)5-12)28-23(38)11-19(34)15-9-24(39)29(41-30(15)28)13-2-4-18(33)21(36)6-13/h1-8,11,16,24-25,29,31-39H,9-10H2/t16-,24-,25-,29+/m0/s1 |
| InChI Key | VOQMBZBUYITUKS-FZCMJMHISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O11 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/99b66f10-85dc-11ee-9bfb-cf188840e2fb.jpg "2D Structure of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.71% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.71% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.57% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.63% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.88% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.67% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.93% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.79% | 85.11% |
| CHEMBL3194 | P02766 | Transthyretin | 84.07% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.46% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.40% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 101938452 |
| LOTUS | LTS0126047 |
| wikiData | Q105290353 |