(2R)-5,7-dihydroxy-6-[(2R,3S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | b32b60bf-ce24-4205-9c12-9b343d6ecd33 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | (2R)-5,7-dihydroxy-6-[(2R,3S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)O)O)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1[C@@H](OC2=C(C1=O)C(=C(C(=C2)O)[C@H]3[C@@H](OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)O)O)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-12-20(34)25-24(38-22)13-21(35)26(29(25)37)27-28(36)19-10-9-18(33)11-23(19)39-30(27)15-3-7-17(32)8-4-15/h1-11,13,22,27,30-33,35,37H,12H2/t22-,27-,30+/m1/s1 |
| InChI Key | NKSQAMNUMKPFDM-MBBMMDPKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2R)-5,7-dihydroxy-6-[(2R,3S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/cfff7280-8647-11ee-aa88-f196690b617e.jpg "2D Structure of (2R)-5,7-dihydroxy-6-[(2R,3S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one")
| 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 | 99.12% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.53% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.43% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.10% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.25% | 99.15% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.04% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.61% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.28% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.78% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.37% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.73% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.35% | 90.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.28% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.24% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.89% | 94.00% |
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.
| Ochna afzelii |
| PubChem | 162998492 |
| LOTUS | LTS0069226 |
| wikiData | Q105180958 |