galloyl(-1)[galloyl(-7)]b-D-altHept2ulof
| Internal ID | 6b3f2045-0e77-4c80-a6de-b7dc78e6646e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [(2R)-2-hydroxy-2-[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]ethyl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O15/c22-9-1-7(2-10(23)14(9)27)19(31)34-5-13(26)17-16(29)18(30)21(33,36-17)6-35-20(32)8-3-11(24)15(28)12(25)4-8/h1-4,13,16-18,22-30,33H,5-6H2/t13-,16-,17-,18+,21-/m1/s1 |
| InChI Key | QHFWAPRVWFUVQH-GTFRVERFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22O15 |
| Molecular Weight | 514.40 g/mol |
| Exact Mass | 514.09586999 g/mol |
| Topological Polar Surface Area (TPSA) | 264.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of galloyl(-1)[galloyl(-7)]b-D-altHept2ulof](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-1galloyl-7b-d-althept2ulof.jpg "2D Structure of galloyl(-1)[galloyl(-7)]b-D-altHept2ulof")
| 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 | 99.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.82% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.57% | 94.45% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.44% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.74% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.08% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.88% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.73% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.40% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.09% | 98.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.51% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.51% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
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.
| Cornus officinalis |
| PubChem | 162901426 |
| LOTUS | LTS0233909 |
| wikiData | Q105220898 |