galloyl(-2)[galloyl(-3)]Glc(b)-O-Ph(4-OH)
| Internal ID | f13b79d9-a1ac-4a80-9027-d904842ceb82 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)-5-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChI | InChI=1S/C26H24O15/c27-9-18-21(35)22(40-24(36)10-5-14(29)19(33)15(30)6-10)23(26(39-18)38-13-3-1-12(28)2-4-13)41-25(37)11-7-16(31)20(34)17(32)8-11/h1-8,18,21-23,26-35H,9H2/t18-,21-,22+,23-,26-/m1/s1 |
| InChI Key | RNRRGOOQJCADDB-WQECCOASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O15 |
| Molecular Weight | 576.50 g/mol |
| Exact Mass | 576.11152005 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of galloyl(-2)[galloyl(-3)]Glc(b)-O-Ph(4-OH)](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-2galloyl-3glcb-o-ph4-oh.jpg "2D Structure of galloyl(-2)[galloyl(-3)]Glc(b)-O-Ph(4-OH)")
| 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 | 99.49% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.64% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 93.34% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.71% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.15% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.15% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.02% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.90% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.61% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.29% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.17% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.85% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.80% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.40% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.14% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.95% | 95.64% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.65% | 91.07% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.43% | 83.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.71% | 95.93% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.97% | 94.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.05% | 94.97% |
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.
| Myrothamnus flabellifolia |
| PubChem | 16757520 |
| LOTUS | LTS0007900 |
| wikiData | Q105241797 |