[4-[(2R,3S)-5,7-diacetyloxy-3-[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-8-yl]-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate
| Internal ID | e51eeabe-c910-4580-a8d7-92e441c2b53a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [4-[(2R,3S)-5,7-diacetyloxy-3-[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-8-yl]-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C44H34O18/c1-19(45)54-28-11-8-26(9-12-28)43-41(42(53)39-34(58-23(5)49)15-29(55-20(2)46)16-35(39)62-43)40-37(60-25(7)51)18-36(59-24(6)50)38-30(52)17-32(61-44(38)40)27-10-13-31(56-21(3)47)33(14-27)57-22(4)48/h8-18,41,43H,1-7H3/t41-,43+/m1/s1 |
| InChI Key | FPYYLJWZQBPFMX-VROXBXNJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H34O18 |
| Molecular Weight | 850.70 g/mol |
| Exact Mass | 850.17451423 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [4-[(2R,3S)-5,7-diacetyloxy-3-[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-8-yl]-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e8faa410-87af-11ee-83fa-ddc6a3706e8e.jpg "2D Structure of [4-[(2R,3S)-5,7-diacetyloxy-3-[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-8-yl]-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.70% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.44% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.35% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.26% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.83% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.81% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.55% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.94% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 85.59% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.53% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.28% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.00% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.62% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.58% | 97.28% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.36% | 96.09% |
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.
| Garcinia gardneriana |
| PubChem | 163014645 |
| LOTUS | LTS0078135 |
| wikiData | Q104999479 |