nocathiacin II
| Internal ID | 77d08c13-ff83-4c8f-aa49-cf21dcc071e1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | N'-[2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-amino-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9-hydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carbonyl]oxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H54N14O18S5/c1-19(73)35-49(80)70-36(20(2)85-5)53-65-30(17-93-53)47(78)71-40-41-42(90-33-10-58(4,84)43(59)21(3)89-33)57(83)87-11-22-7-6-8-25-34(22)24(12-86-41)38(61-25)56(82)88-13-26(62-45(76)28-16-95-55(40)67-28)52-63-27(14-92-52)37-23(51-64-29(15-91-51)46(77)69-35)9-32(74)39(68-37)54-66-31(18-94-54)48(79)72-50(81)44(60)75/h6-9,14-19,21,26,33,35,40-43,61,73-74,84H,10-13,59H2,1-5H3,(H2,60,75)(H,62,76)(H,69,77)(H,70,80)(H,71,78)(H,72,79,81)/b36-20+/t19-,21+,26+,33+,35+,40+,41+,42+,43-,58+/m1/s1 |
| InChI Key | JLVQHFRHPZEAPL-HVLKWGBISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C58H54N14O18S5 |
| Molecular Weight | 1395.50 g/mol |
| Exact Mass | 1394.23440680 g/mol |
| Topological Polar Surface Area (TPSA) | 616.00 Ų |
| XlogP | 1.40 |
| 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 | 99.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.35% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.99% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 98.81% | 93.03% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 98.20% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.13% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 97.95% | 96.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.77% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.63% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 97.23% | 80.96% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 97.20% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.95% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 96.70% | 85.11% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 95.56% | 97.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.39% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.13% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.50% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.27% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.05% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.90% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.27% | 97.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.10% | 92.62% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 91.48% | 80.71% |
| CHEMBL240 | Q12809 | HERG | 91.44% | 89.76% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.47% | 91.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.89% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.53% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.00% | 91.19% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.07% | 92.98% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.27% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.00% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.83% | 100.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.71% | 95.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.62% | 94.75% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 84.51% | 81.14% |
| CHEMBL4531 | P17931 | Galectin-3 | 84.00% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.63% | 97.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.20% | 93.10% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.20% | 96.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.70% | 88.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.43% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.95% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.63% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.45% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.08% | 95.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.42% | 96.77% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.37% | 90.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.25% | 92.68% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.19% | 89.67% |
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 | 139585911 |
| LOTUS | LTS0109778 |
| wikiData | Q77494615 |