streptovirudin A1
| Internal ID | ac55e113-30d9-44ba-9910-ec6d91c5f64b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | (E)-N-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2S,3S,4S,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-10-methylundec-2-enamide |
| SMILES (Canonical) | CC(C)CCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4CCC(=O)NC4=O)O)O)O)O)O |
| SMILES (Isomeric) | CC(C)CCCCCC/C=C/C(=O)N[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@H]3[C@H]([C@@H]([C@@H](O3)N4CCC(=O)NC4=O)O)O)O)O)O |
| InChI | InChI=1S/C35H58N4O16/c1-16(2)10-8-6-4-5-7-9-11-21(43)37-24-28(48)25(45)19(52-34(24)55-33-23(36-17(3)41)27(47)26(46)20(15-40)53-33)14-18(42)31-29(49)30(50)32(54-31)39-13-12-22(44)38-35(39)51/h9,11,16,18-20,23-34,40,42,45-50H,4-8,10,12-15H2,1-3H3,(H,36,41)(H,37,43)(H,38,44,51)/b11-9+/t18-,19-,20+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-/m1/s1 |
| InChI Key | VTHFJSPYJODWKX-UMVLXWOSSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C35H58N4O16 |
| Molecular Weight | 790.90 g/mol |
| Exact Mass | 790.38478178 g/mol |
| Topological Polar Surface Area (TPSA) | 306.00 Ų |
| XlogP | -1.60 |
| 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 | 99.26% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.97% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 97.68% | 94.66% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.68% | 85.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.65% | 95.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.32% | 96.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.98% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.93% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.00% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.83% | 92.97% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.67% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.33% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.39% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.37% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.39% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.01% | 92.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.95% | 95.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.78% | 95.83% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.91% | 92.86% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.48% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.27% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.09% | 96.47% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 84.02% | 96.06% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.11% | 89.50% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.07% | 92.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.89% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.00% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.17% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.12% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.07% | 91.03% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.74% | 95.51% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.16% | 96.90% |
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 | 139589184 |
| LOTUS | LTS0087772 |
| wikiData | Q105292735 |