Spumigin 574
| Internal ID | ddf58d22-e038-41ea-b720-b0167cd3fea3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Leucine and derivatives |
| IUPAC Name | [1-[[1-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate |
| SMILES (Canonical) | CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CC2=CC=C(C=C2)O)OC(=O)C |
| SMILES (Isomeric) | CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CC2=CC=C(C=C2)O)OC(=O)C |
| InChI | InChI=1S/C28H42N6O7/c1-17(2)14-22(33-26(39)24(41-18(3)36)15-19-8-10-21(37)11-9-19)27(40)34-13-5-7-23(34)25(38)32-20(16-35)6-4-12-31-28(29)30/h8-11,16-17,20,22-24,37H,4-7,12-15H2,1-3H3,(H,32,38)(H,33,39)(H4,29,30,31) |
| InChI Key | HFULWQRAZWFHBF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C28H42N6O7 |
| Molecular Weight | 574.70 g/mol |
| Exact Mass | 574.31149770 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 0.90 |
| DTXSID401335173 |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.96% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.01% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.17% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.34% | 93.10% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.94% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.36% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.04% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.06% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.07% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.96% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.84% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.83% | 95.89% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 93.23% | 96.67% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 92.78% | 83.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.63% | 90.71% |
| CHEMBL268 | P43235 | Cathepsin K | 92.46% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.23% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.54% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.41% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.32% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.96% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.59% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.02% | 82.69% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.80% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.61% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.56% | 90.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.65% | 98.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.87% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.72% | 89.63% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.44% | 90.20% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.42% | 96.03% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.78% | 85.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.58% | 97.14% |
| CHEMBL204 | P00734 | Thrombin | 83.54% | 96.01% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.92% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.63% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.97% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.58% | 94.33% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 81.50% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.24% | 98.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.75% | 95.38% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.73% | 93.67% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 80.58% | 98.24% |
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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| PubChem | 146684838 |
| LOTUS | LTS0069287 |
| wikiData | Q104246365 |