2-(3-((2R,3S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
| Internal ID | 9acbdbcd-e3f6-4abf-aa70-1197b13fb57d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 2-[3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)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=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O |
| InChI | InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,26,30-36H/t26-,30+/m1/s1 |
| InChI Key | FJQKFQHINZIKPQ-VIZCGCQYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O10 |
| Molecular Weight | 540.50 g/mol |
| Exact Mass | 540.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 4.80 |
| 2-(3-((2R,3S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one |
| starbld0021573 |
| 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 | 99.31% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.12% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.03% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 93.59% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.65% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.14% | 85.14% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.01% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.85% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.01% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.55% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.42% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.29% | 90.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.41% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.32% | 93.99% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.31% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.50% | 94.73% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.23% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.70% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.53% | 85.11% |
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.
| Lophira lanceolata |
| Tephrosia purpurea |
| PubChem | 101673330 |
| LOTUS | LTS0050020 |
| wikiData | Q104996271 |