6-Hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
| Internal ID | 586ce914-24de-45da-b34c-7ef446de645e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Hydroxyisoflavonoids |
| IUPAC Name | 6-hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C |
| InChI | InChI=1S/C21H18O6/c1-21(2)9-8-13-14(27-21)10-15-17(19(13)25-3)18(23)16(20(24)26-15)11-4-6-12(22)7-5-11/h4-10,22-23H,1-3H3 |
| InChI Key | IZLQAVHJIQJAND-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 6-Hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-hydroxy-7-4-hydroxyphenyl-5-methoxy-22-dimethylpyrano32-gchromen-8-one.jpg "2D Structure of 6-Hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-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 | 99.40% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.67% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.67% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.51% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.31% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.49% | 99.15% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.94% | 95.64% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.49% | 80.96% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 87.37% | 93.24% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.49% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.39% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.84% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.77% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.72% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.03% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.18% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.01% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.94% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
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.
| Erythrina variegata |
| PubChem | 54712408 |
| LOTUS | LTS0135967 |
| wikiData | Q105123295 |