4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside
| Internal ID | 4aa92e3f-dfc0-45bd-92d1-d2a8c006ffa2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides |
| IUPAC Name | 2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol |
| SMILES (Canonical) | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O |
| SMILES (Isomeric) | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O |
| InChI | InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3 |
| InChI Key | URWAJWIAIPFPJE-UHFFFAOYSA-N |
| Popularity | 597 references in papers |
| Molecular Formula | C19H37N5O7 |
| Molecular Weight | 447.50 g/mol |
| Exact Mass | 447.26929854 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -5.10 |
| NCGC00181169-01 |
| 4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside |
| Prestwick0_000506 |
| Prestwick1_000506 |
| Prestwick2_000506 |
| SPBio_002352 |
| CHEMBL115339 |
| SCHEMBL16090396 |
| DTXSID40860468 |
| MCC3470 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside](https://plantaedb.com/storage/docs/compounds/2023/11/38c97480-85ae-11ee-bd0b-6ff88c7a68c0.jpg "2D Structure of 4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside")
| 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 | 98.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.74% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.41% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.53% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.73% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.38% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.99% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.85% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.29% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.08% | 96.95% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.98% | 82.86% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.76% | 97.28% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.13% | 92.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.88% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.74% | 82.69% |
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 | 5224 |
| LOTUS | LTS0210836 |
| wikiData | Q105278062 |