[4-[4-[2-[2-[4-[4-(4-Hydroxybenzoyl)oxybenzoyl]oxyphenyl]ethoxy]ethyl]phenoxy]carbonylphenyl] 4-hydroxybenzoate
| Internal ID | 38b830e0-fc14-44bf-b666-32ed70fb9116 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | [4-[4-[2-[2-[4-[4-(4-hydroxybenzoyl)oxybenzoyl]oxyphenyl]ethoxy]ethyl]phenoxy]carbonylphenyl] 4-hydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1CCOCCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCOCCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C44H34O11/c45-35-13-5-31(6-14-35)41(47)54-39-21-9-33(10-22-39)43(49)52-37-17-1-29(2-18-37)25-27-51-28-26-30-3-19-38(20-4-30)53-44(50)34-11-23-40(24-12-34)55-42(48)32-7-15-36(46)16-8-32/h1-24,45-46H,25-28H2 |
| InChI Key | YJZNBHMSPPZZIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H34O11 |
| Molecular Weight | 738.70 g/mol |
| Exact Mass | 738.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of [4-[4-[2-[2-[4-[4-(4-Hydroxybenzoyl)oxybenzoyl]oxyphenyl]ethoxy]ethyl]phenoxy]carbonylphenyl] 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/fb46f280-865d-11ee-b1e6-83d2d39801b3.jpg "2D Structure of [4-[4-[2-[2-[4-[4-(4-Hydroxybenzoyl)oxybenzoyl]oxyphenyl]ethoxy]ethyl]phenoxy]carbonylphenyl] 4-hydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.77% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.91% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.06% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.25% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.65% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.44% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.71% | 86.92% |
| CHEMBL240 | Q12809 | HERG | 86.67% | 89.76% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.27% | 96.95% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.71% | 94.97% |
| CHEMBL3194 | P02766 | Transthyretin | 83.50% | 90.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.55% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.78% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.33% | 92.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.12% | 94.00% |
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.
| Gastrodia elata |
| PubChem | 163192600 |
| LOTUS | LTS0177313 |
| wikiData | Q105349565 |