5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]chromen-4-one
| Internal ID | b21349e2-1410-4e2a-897a-dd2ec0bbf5e9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]chromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O |
| InChI | InChI=1S/C27H30O14/c28-8-17-22(35)24(37)25(38)27(41-17)40-16-5-11(20(33)23(36)21(16)34)18-12(30)6-13(31)19-14(32)7-15(39-26(18)19)9-1-3-10(29)4-2-9/h1-4,6-7,11,16-17,20-25,27-31,33-38H,5,8H2 |
| InChI Key | RHTCOWHZTLXMFR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O14 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 247.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a4487de0-8588-11ee-8654-e7ac5b1c93e8.jpg "2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]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 | 99.47% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.78% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.49% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.15% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.46% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.23% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.47% | 86.92% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.79% | 98.35% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.28% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.80% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.65% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.02% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.02% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.60% | 99.15% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.39% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.00% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.81% | 91.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.12% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 83.77% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.64% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.23% | 91.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.36% | 95.89% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 81.30% | 91.73% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.26% | 89.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.17% | 91.24% |
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.
| Leucanthemum vulgare |
| PubChem | 162965223 |
| LOTUS | LTS0129671 |
| wikiData | Q105236602 |