Friulimicin C
| Internal ID | 19fadc54-c1be-4d39-b999-b8bf4256ea4c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[16-(1-aminoethyl)-3-[[4-amino-2-[[(E)-10-methyldodec-3-enoyl]amino]-4-oxobutanoyl]amino]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-31-yl]propanoic acid |
| SMILES (Canonical) | CCC(C)CCCCCC=CCC(=O)NC(CC(=O)N)C(=O)NC1C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCCN3C1=O)C(C)C(=O)O)CC(=O)O)CC(=O)O)C(C)N)C(C)C)C |
| SMILES (Isomeric) | CCC(C)CCCCC/C=C/CC(=O)NC(CC(=O)N)C(=O)NC1C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCCN3C1=O)C(C)C(=O)O)CC(=O)O)CC(=O)O)C(C)N)C(C)C)C |
| InChI | InChI=1S/C58H92N14O19/c1-8-30(4)18-13-11-9-10-12-14-21-40(74)64-34(24-39(60)73)51(83)70-48-33(7)63-52(84)38-20-17-23-72(38)56(88)45(29(2)3)68-55(87)47(32(6)59)67-42(76)28-62-49(81)35(25-43(77)78)65-41(75)27-61-50(82)36(26-44(79)80)66-54(86)46(31(5)58(90)91)69-53(85)37-19-15-16-22-71(37)57(48)89/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H2,60,73)(H,61,82)(H,62,81)(H,63,84)(H,64,74)(H,65,75)(H,66,86)(H,67,76)(H,68,87)(H,69,85)(H,70,83)(H,77,78)(H,79,80)(H,90,91)/b14-12+ |
| InChI Key | MDBSKEKVSGDWLT-WYMLVPIESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C58H92N14O19 |
| Molecular Weight | 1289.40 g/mol |
| Exact Mass | 1288.66631676 g/mol |
| Topological Polar Surface Area (TPSA) | 513.00 Ų |
| XlogP | -3.50 |
| 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 | 99.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.48% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 98.27% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL4801 | P29466 | Caspase-1 | 97.88% | 96.85% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.43% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 97.09% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 96.54% | 91.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.96% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.10% | 99.17% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 94.99% | 96.11% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 94.52% | 94.66% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.26% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.17% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.11% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.07% | 90.08% |
| CHEMBL4071 | P08311 | Cathepsin G | 92.92% | 94.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.24% | 99.18% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.46% | 98.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.40% | 89.34% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.21% | 98.24% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.19% | 92.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.94% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.40% | 97.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.55% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.10% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.90% | 89.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.50% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.30% | 96.90% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 88.19% | 94.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.31% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.89% | 94.45% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.58% | 96.03% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.51% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.75% | 90.24% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 85.52% | 96.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.41% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.79% | 96.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.65% | 97.64% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.33% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 83.30% | 98.94% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.58% | 98.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.45% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.62% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.55% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.43% | 95.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.15% | 97.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.40% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 139585781 |
| LOTUS | LTS0123868 |
| wikiData | Q77491533 |