Shengjimycin A1
| Internal ID | 24334c6d-63ea-4a21-ba5c-b188925fb2fd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | [6-[4-(dimethylamino)-6-[[(5S,6S,7R,9R,11Z,13Z,16R)-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H86N2O16/c1-15-39(55)65-38-27-41(57)61-31(5)19-17-16-18-20-37(66-42-22-21-36(52(10)11)32(6)62-42)30(4)26-35(23-24-54)47(48(38)60-14)69-50-45(58)44(53(12)13)46(33(7)64-50)68-43-28-51(9,59)49(34(8)63-43)67-40(56)25-29(2)3/h16-18,20,24,29-38,42-50,58-59H,15,19,21-23,25-28H2,1-14H3/b17-16-,20-18-/t30-,31-,32?,33?,34?,35+,36?,37?,38?,42?,43?,44?,45?,46?,47+,48+,49?,50?,51?/m1/s1 |
| InChI Key | GIDHDUYAXIVIMN-BLZLQJFSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C51H86N2O16 |
| Molecular Weight | 983.20 g/mol |
| Exact Mass | 982.59773466 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.61% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.39% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.28% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.71% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.48% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.89% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.44% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.20% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.61% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.27% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.93% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.39% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.10% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.04% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.13% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.94% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.92% | 92.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.05% | 91.24% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.88% | 98.57% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.72% | 97.28% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.34% | 96.47% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.10% | 97.33% |
| CHEMBL204 | P00734 | Thrombin | 80.28% | 96.01% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.27% | 92.94% |
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 | 139588431 |
| LOTUS | LTS0109688 |
| wikiData | Q105008884 |