2-(9,13-Dihydroxytridecyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
| Internal ID | 97239f7a-5dc2-49df-8c71-afb9edb1eda1 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | 2-(9,13-dihydroxytridecyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H37NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2 |
| InChI Key | RESBTRYGXXYJTJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H37NO5 |
| Molecular Weight | 347.50 g/mol |
| Exact Mass | 347.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.93% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 90.16% | 94.55% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.35% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.07% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.22% | 87.45% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.39% | 97.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.52% | 90.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.62% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.54% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.99% | 98.10% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.80% | 86.92% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 82.09% | 97.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.41% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.75% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.57% | 91.11% |
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.
| Broussonetia papyrifera |
| PubChem | 85292330 |
| LOTUS | LTS0190729 |
| wikiData | Q105235054 |