2-[4-[4-(3,5-Dihydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3-hydroxyphenyl]-5-hydroxy-3,7-dimethoxychromen-4-one
| Internal ID | 814cbb64-9b54-43d3-ae35-c0b6d479a139 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols |
| IUPAC Name | 2-[4-[4-(3,5-dihydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3-hydroxyphenyl]-5-hydroxy-3,7-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C5=C(C(=O)C6=C(C=C(C=C6O5)OC)O)O)OC)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C5=C(C(=O)C6=C(C=C(C=C6O5)OC)O)O)OC)O)O |
| InChI | InChI=1S/C34H26O13/c1-41-17-11-20(36)27-25(13-17)46-32(31(40)29(27)38)16-6-8-23(24(10-16)43-3)45-22-7-5-15(9-19(22)35)33-34(44-4)30(39)28-21(37)12-18(42-2)14-26(28)47-33/h5-14,35-37,40H,1-4H3 |
| InChI Key | FEIQZMJQJPRWFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H26O13 |
| Molecular Weight | 642.60 g/mol |
| Exact Mass | 642.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-[4-(3,5-Dihydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3-hydroxyphenyl]-5-hydroxy-3,7-dimethoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8bb7ea90-864a-11ee-b409-e1f17494a9ee.jpg "2D Structure of 2-[4-[4-(3,5-Dihydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3-hydroxyphenyl]-5-hydroxy-3,7-dimethoxychromen-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.16% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.25% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.88% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.37% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.23% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 93.36% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.03% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.04% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.92% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.60% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.40% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.69% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.11% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.89% | 90.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.52% | 95.53% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.11% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.99% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.61% | 98.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.58% | 86.92% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.26% | 93.65% |
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.
| Spiraea brahuica |
| PubChem | 101563015 |
| LOTUS | LTS0197686 |
| wikiData | Q104993984 |