Aeruginosin NOL5
| Internal ID | 033e205a-b756-41f7-a066-6f306be9b752 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (2S,3aS,7aS)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H56N6O10/c1-2-3-4-7-29(45)40-25(15-20-8-11-23(44)12-9-20)33(49)41-26-17-24(50-34-31(47)30(46)28(19-43)51-34)13-10-21(26)16-27(41)32(48)39-22(18-42)6-5-14-38-35(36)37/h8-9,11-12,21-22,24-28,30-31,34,42-44,46-47H,2-7,10,13-19H2,1H3,(H,39,48)(H,40,45)(H4,36,37,38)/t21-,22?,24?,25-,26-,27-,28?,30?,31?,34?/m0/s1 |
| InChI Key | NCDCOQKFTYCKNK-STPCJELOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C35H56N6O10 |
| Molecular Weight | 720.90 g/mol |
| Exact Mass | 720.40579200 g/mol |
| Topological Polar Surface Area (TPSA) | 263.00 Ų |
| XlogP | 0.30 |
| DTXSID701046705 |
| 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 | 99.66% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.32% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.11% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.81% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.64% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 96.68% | 93.10% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.42% | 83.82% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.73% | 91.81% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.41% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.12% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.60% | 91.19% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 92.60% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.25% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.93% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.41% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.86% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.25% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.44% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.84% | 96.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.52% | 95.38% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.31% | 82.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.29% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.14% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.06% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.73% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.47% | 97.14% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.20% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.12% | 97.29% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.81% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.75% | 98.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.32% | 91.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.70% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.23% | 89.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.98% | 82.86% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.24% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.18% | 95.50% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 81.06% | 97.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.38% | 96.90% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.12% | 99.35% |
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 | 146683744 |
| LOTUS | LTS0069683 |
| wikiData | Q105177141 |