Lissoclinamide 9
| Internal ID | 0a807beb-88ff-4839-a7b5-065778e598a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (2S,8R,15R,18R,22S,25S,26R)-8-benzyl-22-[(2S)-butan-2-yl]-26-methyl-15-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H45N7O5S2/c1-6-19(4)27-34-38-24(17-49-34)30(44)39-26(18(2)3)33-37-23(16-48-33)29(43)36-22(15-21-11-8-7-9-12-21)35(46)42-14-10-13-25(42)32-41-28(20(5)47-32)31(45)40-27/h7-9,11-12,16,18-20,22,24-28H,6,10,13-15,17H2,1-5H3,(H,36,43)(H,39,44)(H,40,45)/t19-,20+,22+,24-,25-,26+,27-,28-/m0/s1 |
| InChI Key | YNBCKFJSPUOTNW-FSRPSNKUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C35H45N7O5S2 |
| Molecular Weight | 707.90 g/mol |
| Exact Mass | 707.29235991 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 4.60 |
| 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 | 99.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.46% | 90.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.39% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 95.38% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.95% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.90% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.69% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.88% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.73% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.68% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.18% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.44% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.45% | 91.76% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.41% | 80.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.94% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.74% | 97.09% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 82.34% | 87.50% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.11% | 97.53% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.92% | 98.57% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.45% | 92.97% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 80.38% | 92.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.16% | 90.71% |
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 | 21604881 |
| LOTUS | LTS0132911 |
| wikiData | Q105350859 |