2-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]heptyl]cyclohex-2-en-1-one
| Internal ID | 11103b39-7348-400e-b355-7dc3e813dbb6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 2-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]heptyl]cyclohex-2-en-1-one |
| SMILES (Canonical) | C1CC=C(C(=O)C1)CCCCCCCC2C(C(C(N2)CO)O)O |
| SMILES (Isomeric) | C1CC=C(C(=O)C1)CCCCCCC[C@@H]2[C@H]([C@H]([C@H](N2)CO)O)O |
| InChI | InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2/t14-,15-,17-,18+/m1/s1 |
| InChI Key | GIIZXIOPWPQLLJ-AHCXZYCDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H31NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 2-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]heptyl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-2r3r4s5r-34-dihydroxy-5-hydroxymethylpyrrolidin-2-ylheptylcyclohex-2-en-1-one.jpg "2D Structure of 2-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]heptyl]cyclohex-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.46% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.64% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.54% | 90.71% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.00% | 95.92% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.16% | 86.92% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 83.25% | 94.55% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.80% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.33% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.24% | 92.50% |
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 |
| PubChem | 11110173 |
| LOTUS | LTS0151454 |
| wikiData | Q105009018 |