6-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
| Internal ID | c28e161b-1c8c-46b5-bc55-734583bd435d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O |
| InChI | InChI=1S/C31H20O10/c1-39-25-13-27-30(22(37)12-23(40-27)14-2-5-16(32)6-3-14)31(38)28(25)18-8-15(4-7-19(18)34)24-11-21(36)29-20(35)9-17(33)10-26(29)41-24/h2-13,32-35,38H,1H3 |
| InChI Key | VFGDLHHMZWLHQG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H20O10 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 5.40 |
| SCHEMBL17166286 |
| BDBM50522699 |
![2D Structure of 6-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/005ea8c0-85c3-11ee-b758-b5036b0523eb.jpg "2D Structure of 6-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-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 | 99.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.93% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.92% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.01% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.52% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.67% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.02% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.02% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 89.43% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.37% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.64% | 90.71% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 87.62% | 97.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.60% | 95.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.12% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.86% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.66% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.51% | 97.28% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.35% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.77% | 99.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.42% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.93% | 94.73% |
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.
| Selaginella sinensis |
| Selaginella willdenowii |
| PubChem | 10392851 |
| LOTUS | LTS0112050 |
| wikiData | Q104403622 |