Me2N(-4d)Qui(a1-4)Ami(b)-cytosin-1-yl
| Internal ID | 0bb07cae-ec84-440f-8853-cd8da9d151ca |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 4-amino-1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]pyrimidin-2-one |
| SMILES (Canonical) | CC1C(CCC(O1)N2C=CC(=NC2=O)N)OC3C(C(C(C(O3)C)N(C)C)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)N(C)C)O)O |
| InChI | InChI=1S/C18H30N4O6/c1-9-11(5-6-13(26-9)22-8-7-12(19)20-18(22)25)28-17-16(24)15(23)14(21(3)4)10(2)27-17/h7-11,13-17,23-24H,5-6H2,1-4H3,(H2,19,20,25)/t9-,10-,11+,13-,14-,15+,16-,17-/m1/s1 |
| InChI Key | XWEBNXCXASNJFB-BHDDGSBGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30N4O6 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.21653469 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
| 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 | 96.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.77% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.19% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.93% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.83% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.67% | 86.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 88.17% | 98.46% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.85% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.63% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.18% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.99% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.20% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.95% | 97.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.51% | 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.
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| There are no matching plants. |
| PubChem | 11361516 |
| LOTUS | LTS0052509 |
| wikiData | Q105343339 |