Aeruginosin NOL7
| Internal ID | 41af12ac-31a9-4d61-9776-92649da0324b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (3aS,7aS)-1-[(2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide |
| SMILES (Canonical) | CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2C3CC(CCC3CC2C(=O)NC(CCCN=C(N)N)CO)OC4C(C(C(O4)CO)O)O |
| SMILES (Isomeric) | CCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2[C@H]3CC(CC[C@H]3CC2C(=O)NC(CCCN=C(N)N)CO)OC4C(C(C(O4)CO)O)O |
| InChI | InChI=1S/C39H64N6O10/c1-2-3-4-5-6-7-8-11-33(49)44-29(19-24-12-15-27(48)16-13-24)37(53)45-30-21-28(54-38-35(51)34(50)32(23-47)55-38)17-14-25(30)20-31(45)36(52)43-26(22-46)10-9-18-42-39(40)41/h12-13,15-16,25-26,28-32,34-35,38,46-48,50-51H,2-11,14,17-23H2,1H3,(H,43,52)(H,44,49)(H4,40,41,42)/t25-,26?,28?,29-,30-,31?,32?,34?,35?,38?/m0/s1 |
| InChI Key | NABUGTAZUYSAPR-MIZMQUSVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H64N6O10 |
| Molecular Weight | 777.00 g/mol |
| Exact Mass | 776.46839226 g/mol |
| Topological Polar Surface Area (TPSA) | 263.00 Ų |
| XlogP | 2.40 |
| DTXSID601046695 |
| 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 | 99.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.42% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.26% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.00% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.95% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.64% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.34% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.11% | 93.10% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.35% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.04% | 92.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.54% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.60% | 91.19% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 92.60% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.37% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.25% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.98% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.41% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.09% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.86% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.84% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.67% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.54% | 93.04% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.40% | 95.38% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.15% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.87% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.06% | 93.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.23% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.65% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.47% | 97.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.11% | 96.21% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.75% | 98.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.19% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.17% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.06% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.02% | 96.47% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.93% | 94.45% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 82.87% | 82.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.39% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.73% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.38% | 96.90% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.28% | 96.61% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 80.09% | 97.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146683741 |
| LOTUS | LTS0168385 |
| wikiData | Q104246195 |