N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide
| Internal ID | 3da32b62-f572-400d-819e-94b4d097cda7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides |
| IUPAC Name | N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24) |
| InChI Key | IHPJPQIRNONWGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H35N5O6 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.25873385 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | -3.10 |
| There are no found synonyms. |
![2D Structure of N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/ee342a40-8722-11ee-a2ae-9f09c36cdf96.jpg "2D Structure of N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide")
| 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 | 97.34% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.13% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.20% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 92.01% | 96.01% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.80% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.69% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.35% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.26% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.56% | 96.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.46% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.19% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.22% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.86% | 91.19% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.64% | 95.58% |
| CHEMBL5028 | O14672 | ADAM10 | 84.14% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.05% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.68% | 93.18% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.27% | 97.53% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 82.16% | 98.57% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.27% | 90.71% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 81.06% | 91.83% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.52% | 92.98% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 13139946 |
| LOTUS | LTS0210180 |
| wikiData | Q105113171 |