Spumigin E
| Internal ID | 6288a7e3-dc63-45ec-bc31-4ab0613c7f61 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | CC1CC(N(C1)C(=O)C(CCC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O |
| SMILES (Isomeric) | C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O |
| InChI | InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1 |
| InChI Key | GNEMRCVXTBTWCG-NBJYBXKZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H42N6O7 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.31149770 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 1.10 |
| CHEMBL2147471 |
| DTXSID001334947 |
| BDBM50044092 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.26% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.19% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.95% | 93.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.80% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.53% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.35% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.39% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.22% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.33% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.60% | 97.21% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.57% | 97.93% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 90.42% | 100.00% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 89.35% | 98.33% |
| CHEMBL3891 | P07384 | Calpain 1 | 88.34% | 93.04% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.33% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.91% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.34% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.33% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.02% | 99.35% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.95% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.82% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.43% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.17% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.01% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.75% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 84.88% | 81.58% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.73% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.59% | 89.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.50% | 94.66% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.33% | 93.10% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.33% | 97.64% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.03% | 90.20% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.85% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.52% | 86.33% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 82.45% | 96.67% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.28% | 96.67% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.92% | 94.00% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 81.25% | 96.28% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.71% | 97.25% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.29% | 97.03% |
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.
| Corydalis cava |
| Corydalis turtschaninovii |
| PubChem | 71449303 |
| LOTUS | LTS0154404 |
| wikiData | Q105268557 |