galloyl(-3)[galloyl(-4)][galloyl(-6)]Glc(b)-O-coumaroyl
| Internal ID | 9d64fc08-28c4-4204-8df0-6a9ce69a04ab |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
| IUPAC Name | [(2R,3R,4R,5R,6S)-5-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)COC(=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)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=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)O |
| InChI | InChI=1S/C36H30O20/c37-18-4-1-14(2-5-18)3-6-26(44)54-36-30(48)32(56-35(51)17-11-23(42)29(47)24(43)12-17)31(55-34(50)16-9-21(40)28(46)22(41)10-16)25(53-36)13-52-33(49)15-7-19(38)27(45)20(39)8-15/h1-12,25,30-32,36-43,45-48H,13H2/b6-3+/t25-,30-,31-,32-,36+/m1/s1 |
| InChI Key | PPMZVDMMGXUMHL-FPHPQQKRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H30O20 |
| Molecular Weight | 782.60 g/mol |
| Exact Mass | 782.13304334 g/mol |
| Topological Polar Surface Area (TPSA) | 337.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of galloyl(-3)[galloyl(-4)][galloyl(-6)]Glc(b)-O-coumaroyl](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-3galloyl-4galloyl-6glcb-o-coumaroyl.jpg "2D Structure of galloyl(-3)[galloyl(-4)][galloyl(-6)]Glc(b)-O-coumaroyl")
| 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 | 99.29% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.84% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.46% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.31% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.96% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.90% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.77% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.44% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.10% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.65% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.79% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.48% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.33% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.31% | 89.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.78% | 92.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.95% | 95.93% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.22% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.93% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.75% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.35% | 98.95% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.45% | 97.03% |
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.
| Balanophora fungosa |
| PubChem | 44604060 |
| LOTUS | LTS0090751 |
| wikiData | Q105212970 |