8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | da60d737-a342-44a7-934d-ca12a8929f5e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O)O |
| InChI | InChI=1S/C30H18O11/c31-14-4-1-12(2-5-14)21-11-20(36)26-28(38)29(39)27(37)24(30(26)41-21)16-7-13(3-6-17(16)33)22-10-19(35)25-18(34)8-15(32)9-23(25)40-22/h1-11,31-34,37-39H |
| InChI Key | BCTLOSNRPJXRNV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H18O11 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | 4.70 |
| SCHEMBL13980979 |
![2D Structure of 8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/07/4414ed10-25b9-11ee-947c-6f757c649050.jpg "2D Structure of 8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-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 | 98.60% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.59% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.93% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 97.93% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.76% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.14% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.63% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.33% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.77% | 95.64% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.35% | 83.57% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.10% | 91.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.12% | 85.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.73% | 91.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.73% | 97.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.39% | 90.71% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.36% | 91.76% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.44% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.21% | 91.23% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.60% | 89.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.94% | 94.73% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 83.71% | 95.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.84% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.23% | 94.42% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 82.00% | 91.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.31% | 96.21% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.29% | 95.78% |
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.
| Rhus coriaria |
| Selaginella pulvinata |
| Selaginella tamariscina |
| PubChem | 24936074 |
| NPASS | NPC259757 |
| ChEMBL | CHEMBL270509 |
| LOTUS | LTS0074818 |
| wikiData | Q104923635 |