13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,4,13-triol
| Internal ID | d684c347-27fe-4096-a9ca-cf0715acaa36 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | 13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,4,13-triol |
| SMILES (Canonical) | C(CCCCC(C1C(C(C(N1)CO)O)O)O)CCCC(CCCO)O |
| SMILES (Isomeric) | C(CCCCC(C1C(C(C(N1)CO)O)O)O)CCCC(CCCO)O |
| InChI | InChI=1S/C18H37NO6/c20-11-7-9-13(22)8-5-3-1-2-4-6-10-15(23)16-18(25)17(24)14(12-21)19-16/h13-25H,1-12H2 |
| InChI Key | RLBPSCXQOMYGEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H37NO6 |
| Molecular Weight | 363.50 g/mol |
| Exact Mass | 363.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,4,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/13-34-dihydroxy-5-hydroxymethylpyrrolidin-2-yltridecane-1413-triol.jpg "2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,4,13-triol")
| 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 | 96.93% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.30% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.40% | 98.95% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 88.85% | 94.55% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.33% | 97.23% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.56% | 87.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.31% | 92.88% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.63% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.38% | 94.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.06% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.27% | 97.79% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.22% | 98.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.07% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.75% | 98.75% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 80.63% | 97.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.37% | 98.10% |
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 | 85282903 |
| LOTUS | LTS0265915 |
| wikiData | Q105239771 |