galloyl(-4)[galloyl(-6)]Glc(b)-O-Ph(2-CH2OH)
| Internal ID | 4be86fcd-f5de-4c9f-a82e-80ec72cd9c48 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[2-(hydroxymethyl)phenoxy]-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC=C(C(=C1)CO)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)O)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)CO)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)O)O |
| InChI | InChI=1S/C27H26O15/c28-9-11-3-1-2-4-18(11)40-27-23(36)22(35)24(42-26(38)13-7-16(31)21(34)17(32)8-13)19(41-27)10-39-25(37)12-5-14(29)20(33)15(30)6-12/h1-8,19,22-24,27-36H,9-10H2/t19-,22-,23-,24-,27-/m1/s1 |
| InChI Key | HOXVUKKGXNVMRX-YKVYKZNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26O15 |
| Molecular Weight | 590.50 g/mol |
| Exact Mass | 590.12717012 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of galloyl(-4)[galloyl(-6)]Glc(b)-O-Ph(2-CH2OH)](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-4galloyl-6glcb-o-ph2-ch2oh.jpg "2D Structure of galloyl(-4)[galloyl(-6)]Glc(b)-O-Ph(2-CH2OH)")
| 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 | 99.54% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 97.61% | 83.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.26% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.77% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.43% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.25% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 89.14% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.81% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.58% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.25% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.49% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.63% | 96.95% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.79% | 93.04% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.74% | 95.83% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.54% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.34% | 96.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.82% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.04% | 97.09% |
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.
| Alangium chinense |
| PubChem | 10817209 |
| LOTUS | LTS0136550 |
| wikiData | Q105031584 |