[8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate
| Internal ID | 9d62c85a-acb8-4712-ac98-b52167cb0f0d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)OS(=O)(=O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)OS(=O)(=O)O)O |
| InChI | InChI=1S/C30H20O14S/c31-14-4-1-12(2-5-14)29-27(28(38)25-18(35)8-15(32)9-22(25)43-29)26-23(44-45(39,40)41)11-20(37)24-19(36)10-21(42-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-35,37H,(H,39,40,41)/t27-,29+/m1/s1 |
| InChI Key | FBWAUCWRWDNIGO-PXJZQJOASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H20O14S |
| Molecular Weight | 636.50 g/mol |
| Exact Mass | 636.05737648 g/mol |
| Topological Polar Surface Area (TPSA) | 246.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/ea311c80-86f4-11ee-8618-875b6aef114c.jpg "2D Structure of [8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate")
| 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 | 97.61% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.01% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.57% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.08% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.97% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.85% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.90% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.16% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.20% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.90% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.48% | 95.78% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 87.20% | 91.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.83% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.18% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.08% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.02% | 98.35% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 80.28% | 82.50% |
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.
| Garcinia portoricensis |
| PubChem | 12110449 |
| LOTUS | LTS0119611 |
| wikiData | Q104992975 |