[(1R,2S,4S,5R)-2,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate
| Internal ID | 7931827f-f78a-4faa-9771-c3982f2cce0c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2S,4S,5R)-2,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H32O25/c42-17-1-12(2-18(43)29(17)52)37(57)62-27-11-28(63-38(58)13-3-19(44)30(53)20(45)4-13)35(65-40(60)15-7-23(48)32(55)24(49)8-15)36(66-41(61)16-9-25(50)33(56)26(51)10-16)34(27)64-39(59)14-5-21(46)31(54)22(47)6-14/h1-10,27-28,34-36,42-56H,11H2/t27-,28-,34+,35+/m1/s1 |
| InChI Key | KLGMMKCGSUTECD-UHWMDZPESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H32O25 |
| Molecular Weight | 924.70 g/mol |
| Exact Mass | 924.12326650 g/mol |
| Topological Polar Surface Area (TPSA) | 435.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4S,5R)-2,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4s5r-2345-tetrakis345-trihydroxybenzoyloxycyclohexyl-345-trihydroxybenzoate.jpg "2D Structure of [(1R,2S,4S,5R)-2,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 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 | 97.88% | 91.11% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 91.95% | 97.53% |
| CHEMBL3194 | P02766 | Transthyretin | 89.20% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.28% | 83.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.80% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.94% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.93% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.63% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.65% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.75% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.43% | 97.21% |
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.
| Quercus salicina |
| PubChem | 163190476 |
| LOTUS | LTS0137363 |
| wikiData | Q105142604 |