galloyl(-2)[galloyl(-3)][galloyl(-6)]Gal(b)-O-galloyl
| Internal ID | 15039843-8393-47a3-8eb3-42f4602f503e |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)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)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| InChI | InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28+,29-,34+/m1/s1 |
| InChI Key | RATQVALKDAUZBW-JIVAFOFASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H28O22 |
| Molecular Weight | 788.60 g/mol |
| Exact Mass | 788.10722252 g/mol |
| Topological Polar Surface Area (TPSA) | 377.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of galloyl(-2)[galloyl(-3)][galloyl(-6)]Gal(b)-O-galloyl](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-2galloyl-3galloyl-6galb-o-galloyl.jpg "2D Structure of galloyl(-2)[galloyl(-3)][galloyl(-6)]Gal(b)-O-galloyl")
| 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 | 98.87% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.90% | 83.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.97% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.45% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 90.98% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.14% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.65% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.70% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.30% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.08% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.13% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.56% | 90.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.10% | 95.17% |
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.
| Eucalyptus globulus |
| PubChem | 12795686 |
| LOTUS | LTS0161204 |
| wikiData | Q105232862 |