[6-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate
| Internal ID | 6fc8c0e8-6c69-46b3-b96b-d77b4b1e7b52 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [6-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H52O23/c52-18-34-40(62)42(64)45(67)51(71-34)74-49-39(37-30(59)14-23(53)15-32(37)69-47(49)22-8-10-26(55)29(58)13-22)38-31(60)17-27(56)24-16-33(46(73-48(24)38)21-7-9-25(54)28(57)12-21)70-50-44(66)43(65)41(63)35(72-50)19-68-36(61)11-6-20-4-2-1-3-5-20/h1-15,17,33-35,39-47,49-60,62-67H,16,18-19H2 |
| InChI Key | YFQFTWJCXMZRGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H52O23 |
| Molecular Weight | 1032.90 g/mol |
| Exact Mass | 1032.28993790 g/mol |
| Topological Polar Surface Area (TPSA) | 385.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [6-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/99487e10-8570-11ee-9fff-878b550ab904.jpg "2D Structure of [6-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate")
| 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 | 99.82% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.22% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.11% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.07% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.69% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.53% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.16% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.63% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 91.58% | 90.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 90.36% | 96.37% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.58% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.90% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.62% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.86% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.44% | 97.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.77% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.46% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.22% | 90.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.64% | 97.53% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.07% | 97.33% |
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.
| Inga umbellifera |
| PubChem | 73808234 |
| LOTUS | LTS0226515 |
| wikiData | Q105347740 |