Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)
| Internal ID | 93b93f30-d3a8-4950-b47a-7376f4f8e80e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [2-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| InChI | InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2 |
| InChI Key | POUWJMQLFDEGQD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H28O17 |
| Molecular Weight | 696.60 g/mol |
| Exact Mass | 696.13264942 g/mol |
| Topological Polar Surface Area (TPSA) | 301.00 Ų |
| XlogP | 2.10 |
| CHEBI:196410 |
| [2-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| 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 | 99.21% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.06% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.82% | 95.93% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.22% | 83.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.07% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.40% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.49% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.23% | 90.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.79% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.89% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.36% | 97.21% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.26% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.58% | 94.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.76% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.41% | 96.95% |
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.
| Mangifera indica |
| PubChem | 131751521 |
| LOTUS | LTS0199469 |
| wikiData | Q105212684 |