Cyclosquamosin A
| Internal ID | 6861b14c-be62-47bf-a211-044bf1e7d180 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 15-benzyl-18-(hydroxymethyl)-3-propan-2-yl-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone |
| SMILES (Canonical) | CC(C)C1C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N3CCCC3C(=O)N1)CC4=CC=CC=C4)CO |
| SMILES (Isomeric) | CC(C)C1C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N3CCCC3C(=O)N1)CC4=CC=CC=C4)CO |
| InChI | InChI=1S/C31H43N7O8/c1-18(2)26-31(46)38-13-7-10-22(38)29(44)32-15-24(40)34-21(17-39)28(43)35-20(14-19-8-4-3-5-9-19)27(42)33-16-25(41)37-12-6-11-23(37)30(45)36-26/h3-5,8-9,18,20-23,26,39H,6-7,10-17H2,1-2H3,(H,32,44)(H,33,42)(H,34,40)(H,35,43)(H,36,45) |
| InChI Key | MRKIEHJOWYDIFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H43N7O8 |
| Molecular Weight | 641.70 g/mol |
| Exact Mass | 641.31731136 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | 0.10 |
| 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 | 99.65% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 97.02% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.09% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.92% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.69% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.95% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.92% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.51% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.81% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.42% | 90.17% |
| CHEMBL4071 | P08311 | Cathepsin G | 87.22% | 94.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.73% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.34% | 93.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.13% | 82.38% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.05% | 95.83% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.03% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.85% | 97.14% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 83.79% | 99.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.55% | 96.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.49% | 95.93% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.34% | 88.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.28% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.20% | 99.18% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 80.92% | 87.50% |
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.
| Annona squamosa |
| PubChem | 73194485 |
| LOTUS | LTS0114186 |
| wikiData | Q105170652 |