3-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
| Internal ID | 09c1bb32-118b-4ac9-b796-8db7c70659c0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-5-hydroxy-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(C5=C(C=C4O)OC(CC5=O)C6=CC=C(C=C6)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C5=C(C=C4O)O[C@H](CC5=O)C6=CC=C(C=C6)O)O |
| InChI | InChI=1S/C32H24O10/c1-39-18-9-5-16(6-10-18)32-29(31(38)26-20(34)11-19(40-2)12-24(26)42-32)28-22(36)14-25-27(30(28)37)21(35)13-23(41-25)15-3-7-17(33)8-4-15/h3-12,14,23,33-34,36-37H,13H2,1-2H3/t23-/m1/s1 |
| InChI Key | PRQOAOFOMFGZJS-HSZRJFAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H24O10 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 3-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4d3034c0-85f9-11ee-bf82-9f6cab9e6a38.jpg "2D Structure of 3-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-5-hydroxy-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 | 99.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.37% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.50% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.80% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.53% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.26% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.37% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.58% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.45% | 88.48% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.28% | 95.64% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.07% | 86.92% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.89% | 85.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.50% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.93% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.87% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.82% | 92.68% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.87% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.81% | 99.17% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.94% | 97.53% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 84.68% | 90.48% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.36% | 95.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.19% | 95.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.18% | 98.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.00% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.32% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.50% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 80.08% | 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.
| Selaginella delicatula |
| PubChem | 163016479 |
| LOTUS | LTS0148390 |
| wikiData | Q105213875 |