6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 22bd533f-0e77-48be-a7c3-07e7cd96d901 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-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)OC(=CC5=O)C6=CC=C(C=C6)O)O |
| InChI | InChI=1S/C30H20O10/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/h1-10,12-13,23,31-33,36-37H,11H2/t23-/m0/s1 |
| InChI Key | DZUMWIOUSTYKKH-QHCPKHFHSA-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) | 163.00 Ų |
| XlogP | 5.00 |
| 34292-87-0 |
| AKOS040760978 |
![2D Structure of 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d0642060-840a-11ee-a7bc-7f82889ae2a5.jpg "2D Structure of 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-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 | 99.65% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 98.46% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.70% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 95.90% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 95.83% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.75% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.48% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.74% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.45% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.95% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.38% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.35% | 98.35% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.14% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.37% | 90.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.91% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.51% | 95.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.19% | 86.92% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 83.66% | 83.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.37% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.30% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.46% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.49% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.45% | 93.99% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.23% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.07% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.49% | 96.09% |
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 revoluta |
| Metasequoia glyptostroboides |
| PubChem | 124511471 |
| LOTUS | LTS0272153 |
| wikiData | Q104992034 |