Saroclide B
| Internal ID | 76f76ff1-65cf-445b-92c5-b382e1acf313 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3R,8E,11R,14R)-3-benzyl-8-methyl-11-propyl-12-oxa-1,4-diazabicyclo[12.3.0]heptadec-8-ene-2,5,7,13-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32N2O5/c1-3-8-19-13-12-17(2)22(28)16-23(29)26-20(15-18-9-5-4-6-10-18)24(30)27-14-7-11-21(27)25(31)32-19/h4-6,9-10,12,19-21H,3,7-8,11,13-16H2,1-2H3,(H,26,29)/b17-12+/t19-,20-,21-/m1/s1 |
| InChI Key | YSNFMBLAIYADSY-UQUBZZJZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H32N2O5 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.23112213 g/mol |
| Topological Polar Surface Area (TPSA) | 92.80 Ų |
| XlogP | 3.70 |
| CHEMBL4277899 |
| 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 | 99.62% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.25% | 97.64% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.69% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.73% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.23% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.69% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.10% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.85% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.07% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.66% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.43% | 96.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.21% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.25% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.76% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.88% | 93.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.73% | 94.73% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 81.94% | 87.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.57% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.94% | 92.67% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.37% | 95.48% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 80.32% | 92.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139589957 |
| LOTUS | LTS0182414 |
| wikiData | Q105360098 |