[(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl] 4-hydroxybenzoate
| Internal ID | 542b5334-444f-4245-9345-b73a7e14c07d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | [(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl] 4-hydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H20O6/c17-6-5-13-14(9-19)11(8-18)7-15(13)22-16(21)10-1-3-12(20)4-2-10/h1-4,13,15,17-20H,5-9H2/t13-,15-/m1/s1 |
| InChI Key | OAIGSTQIANLVTK-UKRRQHHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.33 g/mol |
| Exact Mass | 308.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl] 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r-2-2-hydroxyethyl-34-bishydroxymethylcyclopent-3-en-1-yl-4-hydroxybenzoate.jpg "2D Structure of [(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.05% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.72% | 96.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.10% | 93.10% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 86.87% | 94.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.69% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.11% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.60% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.48% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.37% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.27% | 97.79% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.89% | 97.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.83% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 80.36% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.28% | 91.19% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.13% | 85.00% |
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.
| Crescentia cujete |
| PubChem | 10590905 |
| LOTUS | LTS0171721 |
| wikiData | Q105188672 |