Pseudacyclin B
| Internal ID | 50f86b0c-41dd-46bb-92ee-86792605abcb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S,3S)-2-acetamido-N-[(3R,6S,12S,15S,18S)-3-benzyl-15-[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-12-propan-2-yl-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylpentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H59N7O7/c1-8-23(5)31(40-25(7)46)36(50)41-27-17-13-19-39-35(49)30(22(3)4)43-37(51)32(24(6)9-2)44-34(48)29-18-14-20-45(29)38(52)28(42-33(27)47)21-26-15-11-10-12-16-26/h10-12,15-16,22-24,27-32H,8-9,13-14,17-21H2,1-7H3,(H,39,49)(H,40,46)(H,41,50)(H,42,47)(H,43,51)(H,44,48)/t23-,24-,27-,28+,29-,30-,31-,32-/m0/s1 |
| InChI Key | OEECJUNDTYDCSR-XYEGUOSDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H59N7O7 |
| Molecular Weight | 725.90 g/mol |
| Exact Mass | 725.44759725 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 3.60 |
| 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 | 99.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.66% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.52% | 85.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.64% | 92.97% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.51% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.90% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 93.39% | 93.03% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 92.91% | 90.65% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.46% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.06% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.83% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.60% | 97.14% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.96% | 95.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 87.60% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.46% | 82.38% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.26% | 92.67% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.52% | 95.93% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.58% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.86% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.80% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.69% | 93.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.56% | 98.59% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.45% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.08% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.53% | 90.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.47% | 95.83% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 80.42% | 98.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.00% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 46849013 |
| LOTUS | LTS0129297 |
| wikiData | Q77310127 |