(2S)-6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 26b08fe8-358d-4fdc-bb3b-6eb4b940901d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2S)-6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C5=C(C=C4O)OC(CC5=O)C6=CC=C(C=C6)O)O |
| SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C5=C(C=C4O)O[C@@H](CC5=O)C6=CC=C(C=C6)O)O |
| InChI | InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-10,13,23-24,31-33,36-37H,11-12H2/t23-,24-/m0/s1 |
| InChI Key | HTBWACDSWNWBGQ-ZEQRLZLVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O10 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (2S)-6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9f6f170-85a6-11ee-8d50-9f745ce9c0a3.jpg "2D Structure of (2S)-6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-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 | 99.42% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.09% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.41% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.42% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.06% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.52% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.52% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.10% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.10% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.92% | 92.68% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.89% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.46% | 89.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.63% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.36% | 99.17% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 84.95% | 83.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.90% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.76% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.55% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.87% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.85% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.77% | 95.89% |
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.
| Cycas beddomei |
| Cycas revoluta |
| PubChem | 162915093 |
| LOTUS | LTS0140155 |
| wikiData | Q105033359 |