Microcyclamide A
| Internal ID | d98d68cb-3da4-4598-a772-0aa38b95da88 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Imidazoles > Substituted imidazoles > N-substituted imidazoles |
| IUPAC Name | 11-butan-2-yl-4,7-dimethyl-18-[(3-methylimidazol-4-yl)methyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30N8O4S2/c1-6-12(2)19-26-31-18(10-40-26)22(36)29-16(7-15-8-27-11-34(15)5)25-30-17(9-39-25)21(35)28-13(3)24-33-20(14(4)38-24)23(37)32-19/h8-13,16,19H,6-7H2,1-5H3,(H,28,35)(H,29,36)(H,32,37) |
| InChI Key | VJNFZONNMHDIHW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30N8O4S2 |
| Molecular Weight | 582.70 g/mol |
| Exact Mass | 582.18314382 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 2.50 |
| DTXSID801047649 |
| 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 | 97.08% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.16% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.38% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.00% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.21% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 92.17% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.46% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.78% | 81.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.95% | 95.17% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.90% | 86.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.56% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.38% | 93.03% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.91% | 93.67% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 86.79% | 97.53% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 86.11% | 88.84% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 86.10% | 85.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.96% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.45% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.37% | 97.25% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 84.19% | 95.39% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.66% | 100.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.04% | 98.57% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.99% | 85.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.73% | 93.00% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 82.01% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.94% | 96.67% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.68% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.40% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.17% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73309005 |
| LOTUS | LTS0082827 |
| wikiData | Q104199514 |