(2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
| Internal ID | 8d63f37b-3c60-4efe-a730-d0cb2fdc4649 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| SMILES (Canonical) | C1CCNC(C1)C(C(CCCCCCC2C(C(C(N2)CO)O)O)O)O |
| SMILES (Isomeric) | C1CCN[C@H](C1)[C@@H]([C@H](CCCCCC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)O)O |
| InChI | InChI=1S/C18H36N2O5/c21-11-14-18(25)17(24)13(20-14)8-3-1-2-4-9-15(22)16(23)12-7-5-6-10-19-12/h12-25H,1-11H2/t12-,13-,14-,15+,16+,17-,18-/m1/s1 |
| InChI Key | ZKIXVIVMKROOOR-DOLDXLAHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H36N2O5 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.26242225 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6283f180-85ee-11ee-88a4-87d83926cce3.jpg "2D Structure of (2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.30% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.63% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.67% | 95.58% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.39% | 93.67% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 91.65% | 94.55% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.19% | 95.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.88% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.10% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.89% | 92.88% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.82% | 97.79% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.83% | 97.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.49% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.21% | 90.08% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 85.73% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.53% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.22% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.95% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.64% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.62% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.98% | 94.45% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.84% | 95.88% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.62% | 98.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.15% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.01% | 91.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.00% | 89.67% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 82.79% | 97.03% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.40% | 93.18% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.37% | 99.18% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.14% | 93.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.11% | 98.05% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.01% | 96.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.99% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.66% | 97.47% |
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 | 10594699 |
| LOTUS | LTS0269212 |
| wikiData | Q105378503 |