5-Hydroxy-3-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
| Internal ID | 6dfa6a8a-aef1-4eee-845c-62bbca9b7a9a |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 5-hydroxy-3-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)CC(O5)C6=CC=C(C=C6)O)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)CC(O5)C6=CC=C(C=C6)O)OC |
| InChI | InChI=1S/C33H26O10/c1-39-19-10-6-17(7-11-19)33-30(32(38)27-21(35)12-20(40-2)13-25(27)43-33)29-24(41-3)15-26-28(31(29)37)22(36)14-23(42-26)16-4-8-18(34)9-5-16/h4-13,15,23,34-35,37H,14H2,1-3H3 |
| InChI Key | FELRTXMPQIMFRR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H26O10 |
| Molecular Weight | 582.60 g/mol |
| Exact Mass | 582.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d3a83460-862e-11ee-bcb4-f3ce62fa18f6.jpg "2D Structure of 5-Hydroxy-3-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)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 | 99.35% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.94% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.15% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.85% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.68% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.47% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 94.18% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.32% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.70% | 99.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.85% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.73% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.00% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.55% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.19% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.14% | 86.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.91% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.77% | 93.31% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.51% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 84.40% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.93% | 95.64% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 83.41% | 90.48% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.72% | 98.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.90% | 97.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.81% | 95.71% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 81.03% | 97.03% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.95% | 92.68% |
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 delicatula |
| PubChem | 162957300 |
| LOTUS | LTS0214495 |
| wikiData | Q104994038 |