(3R,7R,10R,11S)-10-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7-diethyl-11-methyl-azacyclotetradecan-2-one
| Internal ID | 6043d54e-d6cd-4d2c-a0c6-e90646fdd57d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (3R,7R,10R,11S)-10-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7-diethyl-11-methyl-azacyclotetradecan-2-one |
| SMILES (Canonical) | CCC1CCCC(C(=O)NCCCC(C(CC1)OC2C(C(C(C(O2)C)O)N)O)C)CC |
| SMILES (Isomeric) | CC[C@@H]1CCC[C@H](C(=O)NCCC[C@@H]([C@@H](CC1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N)O)C)CC |
| InChI | InChI=1S/C24H46N2O5/c1-5-17-10-7-11-18(6-2)23(29)26-14-8-9-15(3)19(13-12-17)31-24-22(28)20(25)21(27)16(4)30-24/h15-22,24,27-28H,5-14,25H2,1-4H3,(H,26,29)/t15-,16+,17+,18+,19+,20-,21+,22+,24+/m0/s1 |
| InChI Key | MFKZSQBNSVJMEC-ZSIDGWOUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H46N2O5 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.34067257 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (3R,7R,10R,11S)-10-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7-diethyl-11-methyl-azacyclotetradecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/c9ae9910-858d-11ee-b44f-6f3c7e88b0b7.jpg "2D Structure of (3R,7R,10R,11S)-10-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7-diethyl-11-methyl-azacyclotetradecan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.60% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.92% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.81% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.14% | 93.04% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.64% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.51% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.01% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.82% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.56% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.15% | 95.89% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.52% | 92.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
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 | 163082381 |
| LOTUS | LTS0128513 |
| wikiData | Q105162806 |