13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-4-one
| Internal ID | b56bcdc1-2927-45cb-a69b-08bf555e5798 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines |
| IUPAC Name | 13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-4-one |
| SMILES (Canonical) | C(CCC=CCCC1C(C(C(N1)CO)O)O)CCC(=O)CCCO |
| SMILES (Isomeric) | C(CCC=CCCC1C(C(C(N1)CO)O)O)CCC(=O)CCCO |
| InChI | InChI=1S/C18H33NO5/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/h3,5,15-21,23-24H,1-2,4,6-13H2 |
| InChI Key | QBJZCPGUZSTYAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H33NO5 |
| Molecular Weight | 343.50 g/mol |
| Exact Mass | 343.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-34-dihydroxy-5-hydroxymethylpyrrolidin-2-yl-1-hydroxytridec-10-en-4-one.jpg "2D Structure of 13-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.33% | 99.17% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 94.94% | 95.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 93.25% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.06% | 91.11% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 86.84% | 94.55% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.57% | 97.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.18% | 97.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.20% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.00% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.34% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.36% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.29% | 95.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.84% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.59% | 90.08% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.57% | 94.45% |
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 | 85114520 |
| LOTUS | LTS0117623 |
| wikiData | Q105217851 |