2-(3,4-Dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-5,7-dihydroxychromen-4-one
| Internal ID | 7791d51b-e6bc-497b-bb35-9cff0a856588 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)O)O)O |
| InChI | InChI=1S/C30H18O12/c31-14-7-20(36)27-24(8-14)42-29(13-2-4-17(33)19(35)6-13)30(28(27)39)40-15-9-21(37)26-22(38)11-23(41-25(26)10-15)12-1-3-16(32)18(34)5-12/h1-11,31-37H |
| InChI Key | NILBZVODTSUQKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H18O12 |
| Molecular Weight | 570.50 g/mol |
| Exact Mass | 570.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-Dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6d92d970-86e1-11ee-abb5-5d1f721b1756.jpg "2D Structure of 2-(3,4-Dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-5,7-dihydroxychromen-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 | 99.03% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 98.65% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 96.23% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.86% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.44% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.09% | 94.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.47% | 96.12% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.77% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.71% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.79% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.95% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.20% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.57% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.23% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.32% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.26% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.75% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.26% | 94.42% |
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.
| Blumea balsamifera |
| PubChem | 163022606 |
| LOTUS | LTS0084364 |
| wikiData | Q105179875 |