Spumigin G
| Internal ID | 61473c78-fa79-421a-873b-1f508745e6d2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]-4-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | CC1CC(N(C1)C(=O)C(CCC2=CC=CC=C2)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=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O |
| InChI | InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1 |
| InChI Key | YGAGCUYKOBGAQX-SYCDWYGJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H42N6O6 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.31658308 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 1.40 |
| (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]-4-methylpyrrolidine-2-carboxamide |
| (2S,4S)-N-(5-(diaminomethylideneamino)-1-oxopentan-2-yl)-1-((2R)-2-(((2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)amino)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide |
| (2S,4S)-N-(5-Carbamimidamido-1-oxopentan-2-yl)-1-((2R)-2-(((2R)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboximidate |
| (2S,4S)-N-(5-Carbamimidamido-1-oxopentan-2-yl)-1-[(2R)-2-{[(2R)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl]-4-methylpyrrolidine-2-carboximidate |
| SPU G |
| RefChem:185075 |
| (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide |
| CHEBI:219896 |
| DTXSID901333784 |
| (4S)-N-{5-[(Diaminomethylidene)amino]-1-oxopentan-2-yl}-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-4-phenylbutanoyl]-4-methyl-L-prolinamide |
| 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 | 99.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.74% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.95% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.45% | 93.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.02% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.42% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 93.32% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.36% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.22% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.62% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.52% | 82.69% |
| CHEMBL3891 | P07384 | Calpain 1 | 91.45% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.03% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.61% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.52% | 97.93% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.48% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.58% | 95.58% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.92% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.59% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.57% | 98.75% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 87.18% | 96.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.15% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.78% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.66% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.66% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.75% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.50% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.88% | 91.19% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 84.88% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.27% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.77% | 93.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.91% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.88% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.57% | 90.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.51% | 89.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139588808 |
| LOTUS | LTS0160181 |
| wikiData | Q104246318 |