CID 21775934
| Internal ID | 5ff772a0-a219-4b73-9918-afb0a77da0dd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (2S,8R,11R,15S,18R,22S,25S,26R)-8-benzyl-15,22-di(butan-2-yl)-26-methyl-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),14(30),21(29)-triene-7,10,17,24-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H49N7O5S2/c1-6-19(3)27-34-38-24(17-49-34)30(44)37-23(16-22-12-9-8-10-13-22)36(47)43-15-11-14-26(43)33-42-29(21(5)48-33)32(46)41-28(20(4)7-2)35-39-25(18-50-35)31(45)40-27/h8-10,12-13,19-21,23-29H,6-7,11,14-18H2,1-5H3,(H,37,44)(H,40,45)(H,41,46)/t19?,20?,21-,23-,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChI Key | JMDXIJWOYKHTDI-UDSBZFQISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H49N7O5S2 |
| Molecular Weight | 724.00 g/mol |
| Exact Mass | 723.32366004 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 4.50 |
| 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 | 99.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.08% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.80% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.78% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.70% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.28% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.83% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.73% | 82.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.02% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.36% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.96% | 99.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.98% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.11% | 97.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 84.37% | 96.31% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.15% | 93.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.29% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.45% | 97.14% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.37% | 92.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.10% | 95.48% |
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 | 21775934 |
| LOTUS | LTS0098502 |
| wikiData | Q105131305 |