Microcyclamide 7806A
| Internal ID | 13090344-cddd-4e03-bde9-138c282ea55f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (4S,7R,8S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16?,17+,18-/m0/s1 |
| InChI Key | MQIAICAGVFTAAN-NIWZQQEZSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C24H32N6O5S |
| Molecular Weight | 516.60 g/mol |
| Exact Mass | 516.21548932 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 | 94.82% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.02% | 89.34% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.55% | 93.67% |
| CHEMBL1949 | P62937 | Cyclophilin A | 91.15% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.51% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.62% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.90% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.79% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.74% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.24% | 86.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.92% | 98.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.57% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.43% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.24% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.87% | 96.90% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.81% | 97.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.21% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.16% | 98.59% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.12% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.06% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.77% | 88.56% |
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.
| There are no matching plants. |
| PubChem | 146683733 |
| LOTUS | LTS0075599 |
| wikiData | Q104246415 |