Ornibactin C4
| Internal ID | b86e25b6-97dc-46ad-b294-e7a583c798ae |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 4-[[1-[[1-(4-aminobutylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-amino-5-[hydroxy(3-hydroxybutanoyl)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid |
| SMILES (Canonical) | CC(CC(=O)N(CCCC(C(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CCCN(C=O)O)C(=O)NCCCCN)N)O)O |
| SMILES (Isomeric) | CC(CC(=O)N(CCCC(C(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CCCN(C=O)O)C(=O)NCCCCN)N)O)O |
| InChI | InChI=1S/C26H48N8O13/c1-15(37)12-19(38)34(47)11-4-6-16(28)22(40)32-20(21(39)26(44)45)25(43)31-18(13-35)24(42)30-17(7-5-10-33(46)14-36)23(41)29-9-3-2-8-27/h14-18,20-21,35,37,39,46-47H,2-13,27-28H2,1H3,(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,44,45) |
| InChI Key | CODGHFHXEFKOMN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H48N8O13 |
| Molecular Weight | 680.70 g/mol |
| Exact Mass | 680.33408362 g/mol |
| Topological Polar Surface Area (TPSA) | 348.00 Ų |
| XlogP | -8.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.92% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 97.50% | 97.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 97.04% | 97.21% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.29% | 99.35% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.21% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.60% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.12% | 98.33% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 94.90% | 96.28% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.73% | 90.20% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.15% | 83.82% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.42% | 98.05% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.20% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.12% | 93.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 93.05% | 95.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 92.24% | 97.06% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.98% | 98.10% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.85% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.59% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.24% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.24% | 96.90% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.21% | 93.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.10% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.68% | 92.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.61% | 91.19% |
| CHEMBL4801 | P29466 | Caspase-1 | 89.60% | 96.85% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 88.02% | 98.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.88% | 89.50% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 87.79% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.45% | 96.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.22% | 92.32% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.78% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.99% | 96.95% |
| CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 84.89% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.86% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.32% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.83% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 83.68% | 97.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.65% | 86.67% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 83.40% | 98.89% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.27% | 97.56% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 83.13% | 97.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.94% | 94.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.72% | 87.45% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.68% | 93.18% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 82.14% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.71% | 90.71% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.51% | 95.36% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 81.37% | 98.89% |
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 | 133053363 |
| LOTUS | LTS0215917 |
| wikiData | Q77423495 |