13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol
| Internal ID | bb3c5e05-4f42-4c79-ac1e-a3377280a362 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | 13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol |
| SMILES (Canonical) | C(CCC(CO)O)CC(CC(CCCC(C1C(C(C(N1)CO)O)O)O)O)O |
| SMILES (Isomeric) | C(CCC(CO)O)CC(CC(CCCC(C1C(C(C(N1)CO)O)O)O)O)O |
| InChI | InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2 |
| InChI Key | ABLRAGJKLQYRRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H37NO8 |
| Molecular Weight | 395.50 g/mol |
| Exact Mass | 395.25191714 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/13-34-dihydroxy-5-hydroxymethylpyrrolidin-2-yltridecane-127913-pentol.jpg "2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol")
| 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 | 95.53% | 96.09% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 91.90% | 94.55% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.56% | 98.95% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.78% | 98.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.86% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.24% | 96.47% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.41% | 97.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.54% | 91.49% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.75% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.58% | 92.88% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.38% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.81% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.69% | 97.25% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.14% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.08% | 99.17% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.04% | 95.93% |
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.
| Scilla peruviana |
| PubChem | 73095992 |
| LOTUS | LTS0155407 |
| wikiData | Q104908678 |