(2R,3S,7R,9S,10S,11R)-10-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-me thyl-oxan-2-yl]oxy-2-ethyl-3-hydroxy-3,7,9,11-tetramethyl-1-oxacyclodo dec-4-ene-6,12-dione
| Internal ID | 8d8c11df-9764-4994-b580-ea3cce3b8670 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 4-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3 |
| InChI Key | HUKYPYXOBINMND-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H43NO7 |
| Molecular Weight | 469.60 g/mol |
| Exact Mass | 469.30395271 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 2.70 |
| 12-Ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranoside |
![2D Structure of (2R,3S,7R,9S,10S,11R)-10-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-me thyl-oxan-2-yl]oxy-2-ethyl-3-hydroxy-3,7,9,11-tetramethyl-1-oxacyclodo dec-4-ene-6,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ba3e4630-8652-11ee-b279-3558ff73fbbf.jpg "2D Structure of (2R,3S,7R,9S,10S,11R)-10-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-me thyl-oxan-2-yl]oxy-2-ethyl-3-hydroxy-3,7,9,11-tetramethyl-1-oxacyclodo dec-4-ene-6,12-dione")
| 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 | 97.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.34% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.45% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.95% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.26% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.32% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.76% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.26% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.76% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.67% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.12% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.03% | 95.93% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.22% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.24% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.16% | 96.21% |
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.
| There are no matching plants. |
| PubChem | 53420574 |
| LOTUS | LTS0134976 |
| wikiData | Q105033891 |