3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 952df102-f7ae-4a50-8026-61cf9956ee24 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1CC2=C(C(=C(C=C2O)O)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC1C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1CC2=C(C(=C(C=C2O)O)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC1C6=CC=C(C=C6)O |
| InChI | InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-22(36)26(30(19)38-23)27-28(37)25-21(35)11-18(33)12-24(25)39-29(27)15-3-7-17(32)8-4-15/h1-8,11-13,23,31-36H,9-10H2 |
| InChI Key | KBUYUAWZPKKJRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c43d9ac0-84d6-11ee-bb20-f91f39e082a3.jpg "2D Structure of 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)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 | 98.98% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.20% | 98.35% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.16% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.60% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.46% | 95.64% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 95.10% | 83.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.01% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.50% | 95.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.94% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 90.70% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.72% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.90% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.54% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.37% | 85.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.72% | 95.62% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.33% | 83.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.21% | 99.15% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.01% | 91.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.98% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.49% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.90% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.01% | 96.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.00% | 88.48% |
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.
| Daphne odora |
| PubChem | 13941112 |
| LOTUS | LTS0092924 |
| wikiData | Q105138539 |