[5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-8-[3,5,7-triacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] acetate
| Internal ID | a6d650c7-9c4e-435d-a02f-dfddf855cdcc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-8-[3,5,7-triacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2=C(C(=C(C=C2OC(=O)C)OC(=O)C)C3C(C(OC4=C3C(=CC(=C4)OC(=O)C)OC(=O)C)C5=CC(=C(C(=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC1C6=CC(=C(C(=C6)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1CC2=C(C(=C(C=C2OC(=O)C)OC(=O)C)C3C(C(OC4=C3C(=CC(=C4)OC(=O)C)OC(=O)C)C5=CC(=C(C(=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC1C6=CC(=C(C(=C6)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C54H50O26/c1-21(55)67-35-17-38(69-23(3)57)46-39(18-35)79-50(34-15-43(73-27(7)61)53(77-31(11)65)44(16-34)74-28(8)62)54(78-32(12)66)48(46)47-40(70-24(4)58)20-37(68-22(2)56)36-19-45(75-29(9)63)49(80-51(36)47)33-13-41(71-25(5)59)52(76-30(10)64)42(14-33)72-26(6)60/h13-18,20,45,48-50,54H,19H2,1-12H3 |
| InChI Key | YCVWONKOPSUBJP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H50O26 |
| Molecular Weight | 1115.00 g/mol |
| Exact Mass | 1114.25903170 g/mol |
| Topological Polar Surface Area (TPSA) | 334.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-8-[3,5,7-triacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/36f95220-87f7-11ee-b074-f983fb8443fa.jpg "2D Structure of [5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-8-[3,5,7-triacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.24% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.02% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.36% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.83% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.00% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.88% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.67% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.54% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.33% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.95% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.53% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.75% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.28% | 92.98% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.19% | 94.00% |
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.
| Stryphnodendron adstringens |
| PubChem | 16175827 |
| LOTUS | LTS0118035 |
| wikiData | Q105346537 |