[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 3af24565-5e68-4105-8d78-7b053077ebb5 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H34O23/c34-12-1-9(2-13(35)20(12)39)29(48)51-7-18-23(42)25(44)27(46)32(54-18)53-17-6-11(5-16(38)22(17)41)31(50)56-33-28(47)26(45)24(43)19(55-33)8-52-30(49)10-3-14(36)21(40)15(37)4-10/h1-6,18-19,23-28,32-47H,7-8H2/t18-,19+,23-,24+,25+,26-,27-,28+,32-,33-/m1/s1 |
| InChI Key | HNIAOELYVPXNCP-NMRIFINESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H34O23 |
| Molecular Weight | 798.60 g/mol |
| Exact Mass | 798.14908733 g/mol |
| Topological Polar Surface Area (TPSA) | 390.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/f85f15a0-8574-11ee-b545-0d69eb0752a1.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 98.57% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 93.91% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.56% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.95% | 95.64% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.63% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.88% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.00% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.00% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.67% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.03% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.82% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.47% | 96.90% |
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.
| Cyclamen persicum |
| PubChem | 10417876 |
| LOTUS | LTS0195446 |
| wikiData | Q105030881 |