Istamycin C1
| Internal ID | 2f8717e6-539f-4ffb-ba0f-2dc0ba665fe3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides |
| IUPAC Name | N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide |
| SMILES (Canonical) | CCNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CNC=O)OC)N)N |
| SMILES (Isomeric) | CCNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@@H]([C@H]([C@H]2O)N(C)C(=O)CNC=O)OC)N)N |
| InChI | InChI=1S/C19H37N5O6/c1-4-22-8-11-5-6-12(20)19(29-11)30-18-13(21)7-14(28-3)16(17(18)27)24(2)15(26)9-23-10-25/h10-14,16-19,22,27H,4-9,20-21H2,1-3H3,(H,23,25)/t11-,12+,13-,14-,16+,17+,18+,19+/m0/s1 |
| InChI Key | HEQBQGYOPQNTBN-XIDLQPTCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H37N5O6 |
| Molecular Weight | 431.50 g/mol |
| Exact Mass | 431.27438392 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | -2.70 |
| CHEBI:81447 |
| C17996 |
| Q27155380 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.35% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.17% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.06% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL204 | P00734 | Thrombin | 90.97% | 96.01% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.66% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.38% | 96.77% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.28% | 94.33% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 88.95% | 91.83% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.91% | 95.58% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.50% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.80% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.47% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.13% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.81% | 95.56% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 82.70% | 98.57% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.44% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.00% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.88% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.45% | 92.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.29% | 93.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.26% | 94.73% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.19% | 86.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.14% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.75% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.49% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.23% | 97.28% |
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 | 46174030 |
| LOTUS | LTS0009793 |
| wikiData | Q27155380 |