28-deoxystambomycin C
| Internal ID | 096105ba-aa51-45ae-bc87-0a874278325e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (6E,30E,42E,44E)-50-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,28,32,34,38,40,46-tetradecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylpentyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C72H131NO21/c1-41(2)20-16-22-51-34-44(5)63(85)37-54(76)25-18-28-58(80)46(7)57(79)26-15-14-21-43(4)68(87)48(9)64-39-65(93-71-70(89)67(73(12)13)69(88)50(11)92-71)49(10)72(90,94-64)40-66(86)91-45(6)31-32-55(77)35-52(74)23-17-27-59(81)47(8)60(82)33-30-42(3)62(84)38-56(78)36-53(75)24-19-29-61(51)83/h14-15,21,31-32,34,41-42,45-65,67-71,74-85,87-90H,16-20,22-30,33,35-40H2,1-13H3/b15-14+,32-31+,43-21+,44-34+/t42?,45?,46?,47?,48?,49?,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,67+,68?,69-,70-,71+,72?/m1/s1 |
| InChI Key | ZUKYKBUZWIWCFL-UJEHSMEHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C72H131NO21 |
| Molecular Weight | 1346.80 g/mol |
| Exact Mass | 1345.92136019 g/mol |
| Topological Polar Surface Area (TPSA) | 381.00 Ų |
| XlogP | 5.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.33% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.85% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.19% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.18% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.12% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.27% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.20% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.16% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.15% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.82% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.31% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.33% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.91% | 96.90% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.45% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.70% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.44% | 91.07% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.39% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.58% | 91.03% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.56% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.40% | 93.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.21% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.86% | 96.47% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.58% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.51% | 96.43% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.33% | 95.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.18% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.16% | 96.37% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.97% | 89.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.55% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.37% | 97.14% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.23% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146684667 |
| LOTUS | LTS0216878 |
| wikiData | Q105383761 |