Spumigin B1
| Internal ID | e572dfdb-f8c7-4474-86fd-d17e5afe68a0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-5-(diaminomethylideneamino)-2-[[(2S,4S)-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carbonyl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H42N6O8/c1-18-15-25(27(41)36-24(30(44)45)3-2-14-34-31(32)33)37(17-18)29(43)23(13-8-19-4-9-21(38)10-5-19)35-28(42)26(40)16-20-6-11-22(39)12-7-20/h4-7,9-12,18,23-26,38-40H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,41)(H,44,45)(H4,32,33,34)/t18-,23+,24-,25-,26+/m0/s1 |
| InChI Key | MNCDUGJJFHDUNT-DXHIOLLYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C31H42N6O8 |
| Molecular Weight | 626.70 g/mol |
| Exact Mass | 626.30641232 g/mol |
| Topological Polar Surface Area (TPSA) | 241.00 Ų |
| XlogP | 1.10 |
| CHEMBL2147470 |
| DTXSID501046630 |
| 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 | 99.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.39% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.08% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.50% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.11% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.01% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.81% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 93.32% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 92.30% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.09% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.33% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.30% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.12% | 93.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.19% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.96% | 82.69% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.50% | 98.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.43% | 96.61% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 89.41% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.70% | 90.20% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 88.35% | 98.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.44% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.19% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.07% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.59% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.86% | 91.19% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.69% | 97.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.62% | 95.58% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.53% | 85.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.33% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.21% | 86.33% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.98% | 82.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.75% | 96.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.60% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.66% | 93.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.97% | 98.75% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 80.71% | 81.58% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 80.25% | 96.28% |
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 | 11802077 |
| LOTUS | LTS0204087 |
| wikiData | Q77516269 |