tunicamycin A
| Internal ID | ae458eaf-7030-4062-8ff2-b6de1c39259d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | (E)-N-[(2S,3R,4R,5R,6R)-2-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+/m1/s1 |
| InChI Key | MEYZYGMYMLNUHJ-HFMVIZMTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C38H62N4O16 |
| Molecular Weight | 830.90 g/mol |
| Exact Mass | 830.41608190 g/mol |
| Topological Polar Surface Area (TPSA) | 306.00 Ų |
| XlogP | 0.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.08% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.28% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.95% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.18% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.73% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.08% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.24% | 93.56% |
| CHEMBL2123 | P51582 | Pyrimidinergic receptor P2Y4 | 89.29% | 93.39% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.26% | 94.75% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.03% | 95.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.37% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.56% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.40% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.11% | 94.66% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.91% | 95.83% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.56% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.24% | 90.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.89% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.55% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.01% | 89.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.64% | 92.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.48% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.39% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.34% | 89.62% |
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 | 145720586 |
| LOTUS | LTS0229588 |
| wikiData | Q105162479 |