microguanidine DA368
| Internal ID | 43a35b78-3f5e-405b-b54e-7b0c57d158da |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Arginine and derivatives |
| IUPAC Name | 5-[carbamimidoyl-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]amino]-2-(trimethylazaniumyl)pentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H36N4O3/c1-14(2)17(24)10-9-15(3)11-13-22(19(20)21)12-7-8-16(18(25)26)23(4,5)6/h11,16-17,24H,1,7-10,12-13H2,2-6H3,(H3-,20,21,25,26)/b15-11+ |
| InChI Key | AKACXVQTFMNJJA-RVDMUPIBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H36N4O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.27874102 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.70 |
| CHEMBL3092719 |
| DTXSID601046421 |
| 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 | 98.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.89% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.72% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.40% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.95% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.01% | 91.19% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 86.88% | 97.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.69% | 97.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.08% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.46% | 89.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.08% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.90% | 96.47% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.15% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.89% | 97.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.34% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.03% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.75% | 93.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 80.91% | 97.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 76324565 |
| LOTUS | LTS0080318 |
| wikiData | Q104246471 |