Spumigin 640
| Internal ID | 3e338c9e-a813-4d08-b684-0e560172bed7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | [1-[[1-[2-[[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H44N6O8/c1-20(40)46-28(18-22-8-13-25(42)14-9-22)30(44)37-26(15-10-21-6-11-24(41)12-7-21)31(45)38-17-3-5-27(38)29(43)36-23(19-39)4-2-16-35-32(33)34/h6-9,11-14,23,26-28,39,41-42H,2-5,10,15-19H2,1H3,(H,36,43)(H,37,44)(H4,33,34,35) |
| InChI Key | OKCXALXIVQJLMA-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H44N6O8 |
| Molecular Weight | 640.70 g/mol |
| Exact Mass | 640.32206238 g/mol |
| Topological Polar Surface Area (TPSA) | 230.00 Ų |
| XlogP | 1.00 |
| DTXSID801047332 |
| 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 | 99.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.40% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.49% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.93% | 96.61% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.18% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.07% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.83% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.08% | 97.93% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 94.79% | 96.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.68% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.28% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.12% | 93.10% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 94.03% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.98% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.28% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.23% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.83% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.35% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.27% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.20% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.45% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.04% | 90.20% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.21% | 91.81% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 90.04% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.07% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.98% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.60% | 93.56% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 87.01% | 95.52% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.87% | 94.66% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.76% | 100.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.96% | 96.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.25% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.46% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.37% | 99.35% |
| CHEMBL2319 | P06870 | Kallikrein 1 | 83.82% | 90.95% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.69% | 93.33% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 82.67% | 82.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.61% | 98.75% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.82% | 98.10% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.57% | 94.33% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 81.49% | 96.67% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 80.80% | 93.39% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146684833 |
| LOTUS | LTS0133895 |
| wikiData | Q104246306 |