CID 135461157
| Internal ID | dfb0eaf5-e283-46ec-89d1-47236fa3da95 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (2S,3S)-3-[(12S,19S,26E,29S)-5-[4-[(3-amino-3-oxoprop-1-en-2-yl)carbamoyl]-1,3-thiazol-2-yl]-4-hydroxy-29-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H55N13O16S5/c1-17(38(51)68)52-39(69)24-14-83-47(57-24)33-28(66)9-21-32(59-33)23-12-81-45(54-23)22(11-64)53-40(70)25-15-84-48(58-25)34(35(67)36(49(74)75)79-29-10-50(5,76)37(63(6)7)20(4)78-29)62-42(72)27-16-82-46(56-27)31(19(3)77-8)61-43(73)30(18(2)65)60-41(71)26-13-80-44(21)55-26/h9,12-16,18,20,22,29-30,34-37,64-67,76H,1,10-11H2,2-8H3,(H2,51,68)(H,52,69)(H,53,70)(H,60,71)(H,61,73)(H,62,72)(H,74,75)/b31-19+/t18-,20+,22+,29+,30+,34+,35+,36+,37-,50+/m1/s1 |
| InChI Key | MVHBCLZSBYPNKG-NWUSPKIPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H55N13O16S5 |
| Molecular Weight | 1254.40 g/mol |
| Exact Mass | 1253.24932859 g/mol |
| Topological Polar Surface Area (TPSA) | 577.00 Ų |
| XlogP | -2.10 |
| CHEMBL554539 |
| SCHEMBL14192137 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 98.13% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.77% | 96.21% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.68% | 95.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.63% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.86% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.39% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.13% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 91.16% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.62% | 94.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 89.99% | 95.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 89.76% | 80.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.30% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.32% | 90.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.29% | 91.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.65% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.36% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.23% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.60% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.58% | 96.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.14% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.44% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.05% | 92.62% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.70% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.49% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.35% | 97.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.65% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.40% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.38% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 135461157 |
| LOTUS | LTS0074494 |
| wikiData | Q105173004 |