Nocardimicin I
| Internal ID | ba6e0084-34f5-4287-8080-3efa6d419f56 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2-methyl-1-oxoicosan-3-yl] 6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H71N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-39(33(2)40(52)45-35-25-21-23-30-49(57)43(35)54)59-44(55)36(26-20-22-29-48(56)32-50)46-41(53)37-31-58-42(47-37)34-24-18-19-27-38(34)51/h18-19,24,27,32-33,35-37,39,51,56-57H,3-17,20-23,25-26,28-31H2,1-2H3,(H,45,52)(H,46,53) |
| InChI Key | JLURERWJFCNPBC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H71N5O10 |
| Molecular Weight | 830.10 g/mol |
| Exact Mass | 829.52009348 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 9.30 |
| 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 | 99.92% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.15% | 93.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.61% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.81% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.66% | 91.81% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.64% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.32% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.17% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 91.34% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.32% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.30% | 97.64% |
| CHEMBL3891 | P07384 | Calpain 1 | 89.03% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.04% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.03% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 87.96% | 92.12% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.13% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.47% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.04% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.99% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.36% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.00% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.54% | 90.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.43% | 83.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.21% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.19% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.71% | 91.19% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.48% | 95.83% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.47% | 96.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.02% | 92.50% |
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 | 136814269 |
| LOTUS | LTS0073898 |
| wikiData | Q77379783 |