(2R,3R,4R,5R)-2-[(10S)-10,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
| Internal ID | ef42fe1c-21fe-4989-9832-978849fa88fc |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | (2R,3R,4R,5R)-2-[(10S)-10,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| SMILES (Canonical) | C(CCCCC1C(C(C(N1)CO)O)O)CCCCC(CCCO)O |
| SMILES (Isomeric) | C(CCCC[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)CCCC[C@@H](CCCO)O |
| InChI | InChI=1S/C18H37NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2/t14-,15+,16+,17+,18+/m0/s1 |
| InChI Key | WBWMANUPDBBHGO-YYWYGQEZSA-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 | 1.90 |
| (2R,3R,4R,5R)-2-[(10S)-10,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
![2D Structure of (2R,3R,4R,5R)-2-[(10S)-10,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4r5r-2-10s-1013-dihydroxytridecyl-5-hydroxymethylpyrrolidine-34-diol.jpg "2D Structure of (2R,3R,4R,5R)-2-[(10S)-10,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol")
| 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% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 90.02% | 94.55% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.97% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.95% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.65% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.56% | 87.45% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.39% | 97.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.63% | 92.88% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.62% | 90.08% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 84.35% | 97.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.68% | 86.92% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.29% | 98.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.41% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.30% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.32% | 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 kazinoki |
| Broussonetia papyrifera |
| PubChem | 10066288 |
| LOTUS | LTS0150318 |
| wikiData | Q105301123 |